data_2mke_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2mke _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 13.4 tp . . . . . 0 N--CA 1.448 -0.566 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.453 ' CB ' ' SG ' ' A' ' 438' ' ' CYS . 73.4 m -56.39 137.53 52.63 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 171.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -93.57 2.01 56.52 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 15.6 mm -120.61 -35.63 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-O 119.528 -0.272 . . . . 0.0 111.088 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.453 ' SG ' ' CB ' ' A' ' 435' ' ' CYS . 31.0 p -115.26 -24.47 8.45 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 12.9 p 39.89 33.8 0.15 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.813 1.245 . . . . 0.0 113.216 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 69.9 m -115.92 -3.47 12.15 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.931 0.492 . . . . 0.0 111.769 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -134.76 158.02 75.92 Favored Pre-proline 0 N--CA 1.453 -0.291 0 C-N-CA 123.412 0.685 . . . . 0.0 109.49 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -61.83 -2.17 2.64 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 124.71 3.607 . . . . 0.0 114.52 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 66.51 60.07 6.6 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 109.962 -1.255 . . . . 0.0 109.962 -174.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -72.76 -8.46 22.44 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 124.136 3.224 . . . . 0.0 112.299 -173.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -129.55 163.37 26.12 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.785 0.434 . . . . 0.0 111.059 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -141.26 147.4 38.19 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.23 0.612 . . . . 0.0 109.564 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 17.4 t -111.33 128.43 55.95 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -90.17 -11.88 39.83 Favored 'General case' 0 CA--C 1.527 0.066 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -170.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.7 154.27 40.78 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.95 -0.468 . . . . 0.0 111.023 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -72.71 -9.38 58.57 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.923 0.489 . . . . 0.0 112.142 -173.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 23.3 m -99.0 -4.28 9.46 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 C-N-CA 122.337 0.255 . . . . 0.0 111.222 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 62.9 m -118.13 -67.07 1.02 Allowed 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 20.4 t80 45.57 31.32 0.91 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.633 1.573 . . . . 0.0 114.637 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -141.71 169.82 16.88 Favored 'General case' 0 C--O 1.231 0.12 0 O-C-N 121.909 -0.494 . . . . 0.0 111.443 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -83.09 147.97 27.79 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -149.12 168.66 22.59 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.369 0.604 . . . . 0.0 110.879 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.473 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 28.7 p -122.18 -178.26 3.82 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 172.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -59.35 -28.94 67.3 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.528 0.604 . . . . 0.0 111.089 -176.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 71.3 m -76.17 -56.54 4.55 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 122.756 0.423 . . . . 0.0 111.556 -177.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' CYS . . . . . 0.473 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 7.7 p -79.15 -13.94 59.41 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 -175.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -69.31 -43.0 74.67 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 169.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -70.33 -17.22 63.06 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.93 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 54.7 m0 -83.74 -23.87 31.41 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.566 0.621 . . . . 0.0 112.117 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -97.41 -5.19 36.81 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.607 0.639 . . . . 0.0 111.709 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -130.83 21.71 4.99 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 117.756 0.253 . . . . 0.0 111.002 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 37.0 t -65.7 -33.88 76.9 Favored 'General case' 0 C--N 1.338 0.084 0 C-N-CA 123.082 0.553 . . . . 0.0 111.171 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 18.3 ptt? -88.45 159.33 18.03 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.944 0.498 . . . . 0.0 110.988 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -72.13 -14.5 61.85 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.1 0.56 . . . . 0.0 111.465 -175.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -72.96 -18.24 78.97 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 118.968 -0.907 . . . . 0.0 114.034 -174.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 64.7 mt -122.87 19.42 10.14 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-N 118.571 1.185 . . . . 0.0 112.431 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 29.3 mmt85 -72.4 -2.4 19.21 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 122.075 -0.39 . . . . 0.0 111.81 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -87.87 -4.01 58.89 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.964 0.506 . . . . 0.0 111.52 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -75.77 157.73 33.12 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 70.0 m -137.45 137.42 22.18 Favored Pre-proline 0 N--CA 1.455 -0.183 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -75.39 140.59 24.59 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 123.025 2.484 . . . . 0.0 111.03 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 10.6 mp . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 173.047 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 9.6 tp . . . . . 0 N--CA 1.446 -0.627 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.512 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 37.0 t -56.77 128.4 36.37 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 175.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -82.89 -0.39 48.08 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -174.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 37.1 mm -121.81 -25.02 2.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 118.014 0.37 . . . . 0.0 110.581 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.435 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 12.2 m -119.26 -29.38 5.2 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 122.349 0.26 . . . . 0.0 111.286 -174.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 15.0 p 39.65 35.43 0.2 Allowed 'General case' 0 C--N 1.34 0.184 0 C-N-CA 124.692 1.197 . . . . 0.0 113.077 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 72.3 m -123.02 -2.88 8.62 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.339 0.656 . . . . 0.0 111.192 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . 0.402 ' HA ' ' HD3' ' A' ' 442' ' ' PRO . 25.8 mm-40 -134.0 158.04 76.29 Favored Pre-proline 0 N--CA 1.455 -0.178 0 C-N-CA 123.906 0.882 . . . . 0.0 109.321 177.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 441' ' ' GLN . 33.5 Cg_exo -63.82 5.39 0.37 Allowed 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 125.004 3.803 . . . . 0.0 114.504 -176.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 68.51 63.02 3.74 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 -175.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.58 -9.61 26.58 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 123.921 3.081 . . . . 0.0 111.986 -174.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -132.64 157.41 44.88 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 110.964 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -139.23 154.08 47.94 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.131 0.972 . . . . 0.0 108.545 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' CYS . . . . . 0.419 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 29.9 t -131.75 133.18 44.51 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -126.57 82.99 2.12 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.594 0.758 . . . . 0.0 109.923 -173.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -132.73 -179.71 5.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.034 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -73.29 -1.72 19.08 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.305 -0.247 . . . . 0.0 111.318 176.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 33.7 m -134.81 -2.96 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 C-N-CA 123.052 0.541 . . . . 0.0 111.755 174.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' CYS . . . . . 0.419 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 84.1 m -120.95 133.64 55.28 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.189 0.449 . . . . 0.0 110.279 176.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -157.14 27.82 0.3 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.275 0.23 . . . . 0.0 111.225 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -133.79 167.3 20.8 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 122.917 0.487 . . . . 0.0 111.703 -174.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -88.24 150.76 23.09 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.859 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -147.31 170.64 16.89 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.286 0.634 . . . . 0.0 110.578 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.459 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 26.4 p -116.02 176.54 5.05 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.805 1.242 . . . . 0.0 108.117 174.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -60.06 -35.37 74.98 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 121.556 -0.715 . . . . 0.0 111.574 -174.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 75.6 m -67.67 -48.61 66.14 Favored 'General case' 0 N--CA 1.458 -0.061 0 C-N-CA 122.251 0.22 . . . . 0.0 111.292 -175.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' CYS . . . . . 0.512 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 24.6 p -88.48 -14.7 37.21 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 111.392 0.145 . . . . 0.0 111.392 -175.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 43.0 t-105 -62.01 -40.42 95.63 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 170.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -75.7 -27.99 58.45 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.769 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 44.9 m0 -70.25 -13.34 62.13 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 118.724 0.693 . . . . 0.0 111.33 176.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -115.99 -13.49 11.26 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 123.116 0.566 . . . . 0.0 112.007 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -134.76 1.37 3.05 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -173.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 26.8 t -80.63 -16.51 53.89 Favored 'General case' 0 CA--C 1.527 0.072 0 CA-C-N 119.224 0.92 . . . . 0.0 109.996 175.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.2 ptp -69.54 156.46 38.86 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.043 0.537 . . . . 0.0 110.217 177.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.38 -4.99 39.76 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -90.13 -29.47 14.88 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-O 118.772 -1.016 . . . . 0.0 113.445 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 66.9 mt -128.45 11.17 6.29 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 118.538 1.169 . . . . 0.0 113.074 -172.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -71.97 7.11 1.73 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -94.06 -2.45 52.88 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.544 0.738 . . . . 0.0 111.532 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 55.3 m170 -75.34 161.2 29.49 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.673 0.389 . . . . 0.0 110.544 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 55.4 m -129.67 146.67 62.16 Favored Pre-proline 0 N--CA 1.456 -0.166 0 C-N-CA 123.169 0.588 . . . . 0.0 109.637 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.7 151.1 69.31 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 123.603 2.869 . . . . 0.0 111.49 -176.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 90.9 mt . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 124.649 1.18 . . . . 0.0 109.007 179.102 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 N--CA 1.455 -0.204 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 14.3 t -58.08 136.22 57.14 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 169.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -81.31 4.11 21.76 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -174.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 33.6 mm -123.61 -26.62 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 C-N-CA 122.922 0.489 . . . . 0.0 110.274 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 24.5 m -111.51 -27.09 8.74 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 20.8 p 39.95 41.89 0.97 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.556 1.142 . . . . 0.0 113.578 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 66.2 m -131.75 -9.9 3.53 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.134 0.574 . . . . 0.0 112.008 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -153.87 155.23 31.08 Favored Pre-proline 0 N--CA 1.455 -0.218 0 C-N-CA 123.329 0.652 . . . . 0.0 109.509 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -68.71 105.21 1.27 Allowed 'Trans proline' 0 N--CA 1.448 -1.172 0 C-N-CA 122.567 2.178 . . . . 0.0 108.633 173.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -48.97 116.96 3.72 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -178.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -79.13 -8.12 15.29 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 123.919 3.08 . . . . 0.0 111.577 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -130.53 160.27 34.62 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 121.217 0.532 . . . . 0.0 111.947 -176.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -138.36 149.28 45.43 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.593 1.157 . . . . 0.0 108.025 175.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' CYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 21.7 t -120.86 127.77 52.21 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -123.91 88.58 2.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.779 0.832 . . . . 0.0 109.684 -174.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -136.71 -172.9 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.952 0.501 . . . . 0.0 110.876 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -72.38 -10.79 60.24 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.014 -0.429 . . . . 0.0 110.397 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 33.0 m -128.12 -11.64 3.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 122.997 0.519 . . . . 0.0 112.334 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' CYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 81.6 m -110.91 134.04 52.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 118.186 0.448 . . . . 0.0 110.317 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -150.98 18.22 0.77 Allowed 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.58 169.56 16.81 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 118.949 0.795 . . . . 0.0 112.004 -170.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -85.61 149.04 25.62 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.037 0.535 . . . . 0.0 109.985 174.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -147.45 177.49 9.2 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.337 0.655 . . . . 0.0 110.944 -175.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 24.4 p -130.17 175.44 8.91 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.088 1.355 . . . . 0.0 108.2 175.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -59.67 -33.42 71.54 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 121.816 -0.553 . . . . 0.0 111.586 -173.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 72.9 m -67.8 -50.49 56.58 Favored 'General case' 0 C--O 1.233 0.202 0 O-C-N 122.293 -0.254 . . . . 0.0 111.181 -176.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 19.0 p -86.38 -16.75 36.35 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -175.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -63.02 -39.57 95.14 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 172.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -77.42 -24.7 50.36 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 117.926 0.33 . . . . 0.0 110.97 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 49.4 m0 -69.99 -15.37 63.02 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.865 0.757 . . . . 0.0 111.534 176.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -113.26 -28.36 7.64 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 176.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -110.37 6.28 22.19 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -172.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 40.7 t -79.04 -15.86 57.64 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.677 0.671 . . . . 0.0 110.351 174.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.5 ptp -74.45 150.85 39.74 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 176.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.29 -7.39 52.62 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -175.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -84.69 -19.22 60.26 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.08 -0.845 . . . . 0.0 113.663 -177.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 77.7 mt -125.85 21.54 7.58 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.57 1.185 . . . . 0.0 112.405 -174.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -68.6 -3.56 12.25 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.286 0.493 . . . . 0.0 112.143 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -89.79 -4.15 57.78 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.218 0.607 . . . . 0.0 112.074 -178.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -77.18 152.22 34.9 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.219 0.463 . . . . 0.0 110.422 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 54.6 m -140.6 148.45 53.24 Favored Pre-proline 0 N--CA 1.455 -0.203 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.65 154.71 24.4 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.254 2.636 . . . . 0.0 112.921 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 43.1 tp . . . . . 0 N--CA 1.454 -0.235 0 C-N-CA 124.036 0.934 . . . . 0.0 108.803 177.128 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.869 -0.049 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.504 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 34.0 t -57.75 130.51 46.74 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 173.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -83.31 5.07 24.5 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -174.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 33.0 mm -124.81 -25.74 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 123.11 0.564 . . . . 0.0 110.44 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 24.3 m -118.83 -27.48 5.8 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.657 0.383 . . . . 0.0 111.922 -172.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 16.3 p 40.5 36.54 0.37 Allowed 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.023 1.329 . . . . 0.0 114.466 176.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 74.2 m -121.81 -0.75 9.54 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 123.117 0.567 . . . . 0.0 111.735 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -146.82 154.58 47.65 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 124.491 1.117 . . . . 0.0 109.224 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -69.85 18.93 0.19 Allowed 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 124.723 3.616 . . . . 0.0 113.525 -177.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 68.04 84.35 0.12 Allowed Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -71.32 -11.06 28.15 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 123.345 2.697 . . . . 0.0 111.149 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -139.69 160.44 39.87 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.322 0.582 . . . . 0.0 111.629 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -140.99 156.78 45.98 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.379 1.071 . . . . 0.0 108.224 173.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' CYS . . . . . 0.476 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 15.4 t -135.61 137.85 42.34 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -128.34 10.46 6.26 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -169.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.07 -179.91 2.09 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.163 0.506 . . . . 0.0 111.993 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -61.2 -13.88 21.4 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -172.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 29.9 m -124.95 0.48 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 118.59 0.632 . . . . 0.0 111.794 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' CYS . . . . . 0.476 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 80.9 m -117.7 134.29 55.06 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.778 0.431 . . . . 0.0 110.776 -178.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -150.79 20.71 0.8 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 122.974 0.509 . . . . 0.0 111.239 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -132.74 165.51 24.37 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 122.764 0.426 . . . . 0.0 111.79 -170.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -84.14 148.29 26.86 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -145.24 174.71 10.85 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.226 0.536 . . . . 0.0 110.768 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 26.5 p -129.42 177.07 7.46 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.984 1.314 . . . . 0.0 108.496 175.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -59.58 -30.8 68.91 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.916 -0.49 . . . . 0.0 111.5 -176.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 75.7 m -69.74 -58.76 3.51 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.385 0.274 . . . . 0.0 111.35 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' CYS . . . . . 0.504 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 12.3 p -77.19 -21.59 53.72 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -174.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 23.8 t-105 -60.01 -48.19 82.74 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 172.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -77.6 -6.49 53.91 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.9 m0 -81.37 -19.31 42.95 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 118.706 -0.664 . . . . 0.0 112.086 175.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 26.0 ttp180 -128.91 -17.55 3.94 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 175.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -91.27 9.04 33.01 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.012 0.823 . . . . 0.0 111.227 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 65.6 p -85.98 -16.87 36.97 Favored 'General case' 0 C--N 1.338 0.098 0 C-N-CA 122.99 0.516 . . . . 0.0 111.802 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.6 ptp -94.26 159.52 15.09 Favored 'General case' 0 C--O 1.23 0.06 0 C-N-CA 122.892 0.477 . . . . 0.0 110.669 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -73.22 -5.88 42.23 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -174.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -79.81 -13.88 81.69 Favored Glycine 0 CA--C 1.526 0.761 0 CA-C-O 119.745 -0.475 . . . . 0.0 111.951 177.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.4 mp -137.0 11.8 3.09 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.434 0.694 . . . . 0.0 112.433 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -69.92 -4.8 22.15 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 121.51 -0.744 . . . . 0.0 112.802 -176.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -100.69 2.33 41.37 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.913 0.885 . . . . 0.0 112.065 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -75.95 161.71 28.7 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 122.617 0.367 . . . . 0.0 111.275 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 71.0 m -134.06 143.54 47.7 Favored Pre-proline 0 CA--C 1.528 0.111 0 C-N-CA 123.677 0.791 . . . . 0.0 109.186 176.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -75.13 145.57 31.16 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.216 2.611 . . . . 0.0 112.024 -176.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 N--CA 1.454 -0.239 0 C-N-CA 124.491 1.116 . . . . 0.0 108.391 173.448 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 9.6 tp . . . . . 0 N--CA 1.45 -0.472 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.459 ' CB ' ' SG ' ' A' ' 438' ' ' CYS . 36.5 m -56.88 151.52 14.39 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.981 0.419 . . . . 0.0 110.738 178.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -86.03 -19.67 29.96 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -175.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 38.6 mm -118.8 -41.88 2.4 Favored 'Isoleucine or valine' 0 C--N 1.342 0.27 0 CA-C-N 118.373 0.533 . . . . 0.0 111.51 -177.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.459 ' SG ' ' CB ' ' A' ' 435' ' ' CYS . 26.5 p -95.97 -29.37 14.19 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -176.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 5.5 p 40.49 26.95 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.321 1.448 . . . . 0.0 113.845 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 64.4 m -89.0 -11.07 45.31 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.648 0.379 . . . . 0.0 111.61 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -155.51 159.91 31.28 Favored Pre-proline 0 N--CA 1.454 -0.273 0 C-N-CA 122.665 0.386 . . . . 0.0 110.284 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -69.37 105.19 1.38 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 122.442 2.095 . . . . 0.0 107.156 169.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -55.16 125.39 35.8 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 -174.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -75.97 -8.59 19.04 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.906 3.071 . . . . 0.0 111.694 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -122.77 159.16 28.62 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 121.197 0.522 . . . . 0.0 111.733 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -145.12 159.78 42.45 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.386 1.074 . . . . 0.0 108.179 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 16.0 t -130.96 146.2 52.28 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.748 0.419 . . . . 0.0 109.876 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -97.22 -2.21 43.28 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -172.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -80.92 158.87 25.12 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.321 0.509 . . . . 0.0 111.277 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -76.13 -6.78 52.79 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -174.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 34.6 m -102.1 -11.3 8.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 122.601 0.36 . . . . 0.0 111.506 -176.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 11.8 p -148.89 43.04 0.97 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.043 0.537 . . . . 0.0 110.484 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -73.84 43.02 0.15 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.909 0.883 . . . . 0.0 112.002 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -134.95 176.66 8.46 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 124.513 1.125 . . . . 0.0 110.061 -177.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -86.71 153.14 21.95 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 120.861 0.362 . . . . 0.0 110.74 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -149.13 167.71 25.19 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.299 0.64 . . . . 0.0 110.993 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 29.2 p -123.69 179.92 4.61 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.389 1.475 . . . . 0.0 107.738 173.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -58.81 -27.03 64.67 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.56 -0.712 . . . . 0.0 111.386 -176.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 70.9 m -75.63 -61.65 1.85 Allowed 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.396 0.278 . . . . 0.0 110.67 -177.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 7.1 p -74.56 -22.72 58.85 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 -174.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -64.54 -47.04 80.28 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 173.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -76.82 -4.9 45.99 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 117.887 0.312 . . . . 0.0 111.739 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 54.2 m0 -88.43 -15.23 35.99 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.347 0.522 . . . . 0.0 111.943 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -122.23 -24.77 5.0 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 176.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -94.54 14.26 21.42 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.519 0.6 . . . . 0.0 112.191 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 65.2 p -92.69 -13.44 29.4 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 123.423 0.689 . . . . 0.0 112.057 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.5 ptp -96.44 153.67 17.7 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 122.909 0.484 . . . . 0.0 110.88 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -60.2 -16.48 33.56 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -173.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -81.85 -5.68 89.6 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-O 119.217 -0.768 . . . . 0.0 112.704 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.3 mp -139.55 2.61 2.04 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.493 1.147 . . . . 0.0 113.655 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -73.89 0.13 14.29 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 119.36 0.982 . . . . 0.0 112.286 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 57.3 p-80 -100.76 4.86 43.36 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.316 0.646 . . . . 0.0 111.846 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -82.19 169.28 16.78 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.001 0.52 . . . . 0.0 111.292 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 62.6 m -135.85 144.83 50.29 Favored Pre-proline 0 C--O 1.232 0.164 0 C-N-CA 123.912 0.885 . . . . 0.0 108.985 176.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -72.45 161.19 44.93 Favored 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 123.529 2.819 . . . . 0.0 111.459 -177.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 15.4 tp . . . . . 0 N--CA 1.455 -0.204 0 C-N-CA 124.131 0.972 . . . . 0.0 108.542 178.397 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 16.5 tp . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 48.3 t -58.58 144.71 41.94 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -93.47 -16.63 24.31 Favored 'General case' 0 N--CA 1.458 -0.07 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -171.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 35.5 mm -109.8 -19.22 7.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 CA-C-N 118.552 0.615 . . . . 0.0 111.37 -176.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 27.9 p -134.46 -25.52 1.5 Allowed 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 5.5 p 45.87 21.56 0.1 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.863 1.265 . . . . 0.0 113.316 -176.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 66.0 m -91.63 -6.49 52.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.252 0.621 . . . . 0.0 110.916 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -135.23 156.52 78.03 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 124.324 1.049 . . . . 0.0 109.217 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -79.58 19.99 0.91 Allowed 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 125.218 3.945 . . . . 0.0 113.178 -169.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 61.97 63.26 4.91 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 177.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -67.22 -10.17 27.68 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 123.937 3.091 . . . . 0.0 112.116 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -133.75 163.34 29.68 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.949 0.404 . . . . 0.0 111.369 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -146.2 151.95 38.44 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.249 1.019 . . . . 0.0 108.48 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 9.6 t -125.61 135.74 52.51 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -111.77 75.43 0.92 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.37 0.668 . . . . 0.0 111.242 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -132.74 -176.27 4.05 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.563 0.345 . . . . 0.0 111.29 176.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -93.05 -2.82 55.25 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.165 0.586 . . . . 0.0 111.325 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 17.8 m -115.71 -22.55 4.55 Favored 'Isoleucine or valine' 0 C--N 1.34 0.165 0 C-N-CA 122.735 0.414 . . . . 0.0 111.089 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 4.3 p -137.22 131.14 32.01 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 172.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -147.93 23.86 1.07 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.896 0.479 . . . . 0.0 111.733 -171.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -132.45 178.36 6.89 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.077 0.551 . . . . 0.0 110.755 -174.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -82.2 148.79 28.25 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.801 0.44 . . . . 0.0 110.754 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -149.9 161.38 42.4 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.529 0.731 . . . . 0.0 110.237 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.45 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 24.7 p -100.29 173.65 6.5 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 170.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.68 -24.72 66.94 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 121.706 -0.621 . . . . 0.0 111.701 -177.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 7.6 t -69.97 -46.74 64.58 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 109.618 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' CYS . . . . . 0.45 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 37.4 m -82.97 -24.1 33.1 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.842 -173.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -63.21 -40.74 98.34 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -72.35 -28.87 63.31 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.191 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 53.0 m0 -72.85 -7.61 51.66 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.394 0.543 . . . . 0.0 111.516 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 88.3 mmt-85 -124.96 0.59 7.97 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -139.85 9.33 2.37 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 69.5 m -77.01 -9.94 59.04 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 119.052 0.842 . . . . 0.0 111.076 175.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.8 ptp -81.81 150.61 27.78 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 177.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -72.46 -11.94 60.89 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.362 0.265 . . . . 0.0 111.607 -176.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -82.74 -16.0 71.66 Favored Glycine 0 CA--C 1.527 0.826 0 CA-C-O 118.846 -0.974 . . . . 0.0 113.678 -176.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 68.1 mt -123.22 19.46 9.85 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 118.545 1.173 . . . . 0.0 112.518 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -72.05 0.89 8.34 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.972 -0.455 . . . . 0.0 111.892 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -93.39 -4.91 50.58 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.317 0.647 . . . . 0.0 111.915 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -74.04 159.0 33.28 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.935 0.397 . . . . 0.0 110.844 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 69.0 m -139.41 149.06 59.01 Favored Pre-proline 0 N--CA 1.455 -0.223 0 C-N-CA 123.362 0.665 . . . . 0.0 109.444 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -68.78 156.49 65.28 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 123.572 2.848 . . . . 0.0 111.097 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 24.7 tp . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 -179.45 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 14.4 tp . . . . . 0 N--CA 1.45 -0.459 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 54.1 t -57.29 139.59 52.39 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -87.08 -10.38 53.06 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -171.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 40.9 mm -116.39 -21.7 4.93 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-N 118.25 0.477 . . . . 0.0 111.875 -175.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 31.9 p -133.47 -21.03 2.04 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 118.305 0.502 . . . . 0.0 112.25 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 6.2 p 42.57 28.15 0.11 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.888 1.275 . . . . 0.0 113.689 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 59.0 m -87.99 -8.81 55.11 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 122.99 0.516 . . . . 0.0 111.911 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -157.26 157.2 30.22 Favored Pre-proline 0 N--CA 1.454 -0.244 0 C-N-CA 122.99 0.516 . . . . 0.0 109.842 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -66.01 106.73 1.01 Allowed 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 122.636 2.224 . . . . 0.0 107.684 171.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -51.39 116.11 4.36 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 123.556 0.598 . . . . 0.0 111.749 -175.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -77.09 -8.03 17.48 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 123.763 2.975 . . . . 0.0 111.617 177.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -123.6 157.42 33.76 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.177 0.513 . . . . 0.0 112.196 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -145.27 160.12 41.97 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.798 1.239 . . . . 0.0 108.968 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 8.8 t -134.43 154.51 51.35 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -103.82 -15.31 15.74 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -169.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.33 153.5 33.76 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.901 0.773 . . . . 0.0 110.788 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -71.78 -5.18 32.23 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 32.8 m -94.06 -11.87 8.88 Favored 'Isoleucine or valine' 0 C--N 1.341 0.204 0 CA-C-O 119.538 -0.268 . . . . 0.0 111.346 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 9.2 p -150.66 40.89 0.76 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 122.939 0.496 . . . . 0.0 110.73 178.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -74.84 52.51 0.54 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.772 0.829 . . . . 0.0 111.826 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -141.96 172.88 12.08 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 124.556 1.142 . . . . 0.0 109.929 -177.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -86.33 151.56 23.48 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.722 0.296 . . . . 0.0 110.427 177.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -147.9 167.71 24.13 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.4 0.619 . . . . 0.0 111.062 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.445 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 22.1 p -111.95 174.97 5.62 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.752 1.221 . . . . 0.0 108.71 172.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -60.01 -25.67 65.48 Favored 'General case' 0 C--O 1.232 0.179 0 O-C-N 122.0 -0.437 . . . . 0.0 111.66 -175.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 10.8 t -71.66 -52.21 19.08 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.119 0.485 . . . . 0.0 109.855 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' CYS . . . . . 0.445 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 37.1 m -77.39 -23.12 50.75 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.659 -173.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -69.39 -50.92 41.55 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -75.96 -8.74 57.65 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.745 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -82.15 -21.67 36.47 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.991 0.516 . . . . 0.0 111.319 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 51.5 ttt85 -120.34 -17.43 8.21 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -107.65 6.27 27.64 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 23.3 t -95.11 -5.42 44.25 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-N 118.125 0.42 . . . . 0.0 111.415 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 23.8 ptp -80.15 155.99 27.19 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 122.192 -0.317 . . . . 0.0 110.598 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -78.44 71.21 4.89 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.915 0.486 . . . . 0.0 110.366 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -174.92 -25.98 0.03 OUTLIER Glycine 0 CA--C 1.529 0.912 0 CA-C-O 119.241 -0.755 . . . . 0.0 112.873 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 52.6 mt -117.2 23.2 12.0 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.168 0.984 . . . . 0.0 111.438 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -69.86 -3.49 16.03 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 123.533 0.733 . . . . 0.0 111.862 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -93.87 -2.55 53.25 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.418 0.687 . . . . 0.0 112.199 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 52.8 m170 -80.44 156.85 26.42 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 118.208 0.458 . . . . 0.0 110.348 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 64.3 m -140.69 150.8 61.35 Favored Pre-proline 0 N--CA 1.455 -0.178 0 C-N-CA 123.39 0.676 . . . . 0.0 109.186 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.76 148.98 52.56 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.6 2.867 . . . . 0.0 112.896 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 95.7 mt . . . . . 0 N--CA 1.457 -0.124 0 C-N-CA 124.262 1.025 . . . . 0.0 109.255 178.394 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 30.7 tp . . . . . 0 N--CA 1.451 -0.377 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 53.4 t -55.71 133.34 50.73 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -88.42 -2.29 58.51 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -173.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 31.9 mm -117.83 -20.76 5.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 118.682 0.674 . . . . 0.0 111.296 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 26.0 p -137.39 -25.43 1.03 Allowed 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 6.2 p 46.22 26.27 0.43 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.294 1.038 . . . . 0.0 113.262 -178.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 67.2 m -85.97 -11.23 53.58 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -150.88 159.81 33.31 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-O 119.195 -0.431 . . . . 0.0 109.866 176.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -57.56 5.53 0.07 OUTLIER 'Trans proline' 0 CA--C 1.537 0.632 1 C-N-CA 126.11 4.54 . . . . 0.0 116.673 -171.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 65.61 72.97 0.65 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -72.57 -8.5 22.64 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.968 3.112 . . . . 0.0 111.846 -176.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -125.05 157.48 36.15 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.168 0.509 . . . . 0.0 111.515 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -142.28 145.16 33.71 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.611 0.764 . . . . 0.0 109.92 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 17.1 t -121.61 122.69 40.2 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -92.72 -11.85 32.91 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -170.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.3 153.66 37.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.11 -0.369 . . . . 0.0 111.326 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -71.24 -3.16 18.81 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 -173.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 34.1 m -106.24 -5.96 10.1 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 CA-C-N 117.969 0.35 . . . . 0.0 111.102 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 65.5 m -116.84 -65.72 1.16 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 17.9 t80 46.28 27.27 0.55 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.847 1.659 . . . . 0.0 114.454 175.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -142.4 167.01 23.11 Favored 'General case' 0 C--N 1.338 0.108 0 C-N-CA 123.25 0.62 . . . . 0.0 111.212 -177.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -89.09 150.52 22.7 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.264 0.625 . . . . 0.0 110.013 177.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -149.64 165.88 30.97 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.272 0.558 . . . . 0.0 111.106 -177.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 22.6 p -102.95 176.12 5.25 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 170.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 41.9 ptt180 -61.31 -28.18 69.01 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.706 -0.621 . . . . 0.0 111.356 -177.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 7.8 t -69.94 -48.97 56.35 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.409 0.623 . . . . 0.0 109.98 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 56.2 m -80.82 -22.97 39.51 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.905 -172.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -64.32 -40.68 96.4 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 173.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -74.29 -21.57 59.67 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.789 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 52.4 m0 -78.78 -9.0 59.3 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.448 0.567 . . . . 0.0 111.55 176.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -123.39 2.83 9.1 Favored 'General case' 0 C--N 1.338 0.099 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -139.72 14.67 2.51 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 54.6 p -75.74 -26.06 57.1 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 118.49 0.587 . . . . 0.0 111.303 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -73.56 150.68 41.3 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 30.2 mp0 -71.74 -8.66 55.56 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.295 0.238 . . . . 0.0 111.417 -177.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -80.14 -21.72 64.66 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 118.735 -1.036 . . . . 0.0 113.558 -176.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 52.3 mt -121.22 15.58 11.44 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.738 1.269 . . . . 0.0 112.68 -174.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -73.95 2.28 8.98 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.599 0.636 . . . . 0.0 112.077 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -90.22 -4.67 57.07 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.964 0.506 . . . . 0.0 111.651 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -75.03 157.66 34.48 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 122.715 0.406 . . . . 0.0 110.214 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 61.5 m -134.6 135.45 23.62 Favored Pre-proline 0 N--CA 1.456 -0.144 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 176.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -76.43 149.74 31.39 Favored 'Trans proline' 0 N--CA 1.45 -1.064 0 C-N-CA 123.198 2.599 . . . . 0.0 111.716 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 172.196 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 31.5 tp . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.52 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 44.1 t -58.66 137.67 57.43 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -100.2 2.86 43.29 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -171.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 33.6 mm -112.98 -23.25 4.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 118.328 0.513 . . . . 0.0 110.598 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 7.8 p -144.73 -17.39 0.53 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -176.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 8.3 p 43.78 31.01 0.43 Allowed 'General case' 0 C--N 1.343 0.322 0 C-N-CA 124.428 1.091 . . . . 0.0 113.803 176.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 13.0 t -86.85 -17.61 32.94 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.877 0.37 . . . . 0.0 111.225 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -149.99 157.09 38.04 Favored Pre-proline 0 N--CA 1.455 -0.208 0 C-N-CA 123.895 0.878 . . . . 0.0 109.195 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -67.71 28.93 0.13 Allowed 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 125.291 3.994 . . . . 0.0 114.713 -171.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 59.12 80.82 0.08 OUTLIER Glycine 0 CA--C 1.527 0.809 0 C-N-CA 123.722 0.677 . . . . 0.0 112.29 173.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -71.69 -9.17 24.52 Favored 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 123.562 2.841 . . . . 0.0 111.47 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -134.51 162.35 32.5 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.353 0.596 . . . . 0.0 111.85 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -140.51 156.14 46.43 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.657 1.183 . . . . 0.0 108.02 175.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 23.3 t -131.61 133.3 44.82 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -178.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -126.67 87.26 2.63 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.541 0.737 . . . . 0.0 109.964 -172.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -137.84 -177.15 4.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.302 177.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -70.68 -9.33 56.88 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 122.074 -0.391 . . . . 0.0 110.996 177.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 18.6 m -129.5 -12.71 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 C-N-CA 122.991 0.516 . . . . 0.0 111.594 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 87.1 m -111.73 128.9 56.23 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -156.45 28.79 0.34 Allowed 'General case' 0 C--O 1.232 0.133 0 C-N-CA 122.388 0.275 . . . . 0.0 111.269 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -130.67 170.17 14.66 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.155 0.582 . . . . 0.0 110.996 -176.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -85.09 149.86 25.26 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -146.21 170.88 15.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.462 0.649 . . . . 0.0 110.413 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 22.6 p -123.69 174.26 7.59 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.895 1.278 . . . . 0.0 107.797 172.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -61.55 -29.02 69.75 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.525 -0.735 . . . . 0.0 111.752 -172.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 22.7 t -73.32 -50.49 21.83 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.456 0.17 . . . . 0.0 111.149 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' CYS . . . . . 0.52 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 18.3 p -82.59 -14.97 53.89 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 122.21 -0.306 . . . . 0.0 111.246 -179.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 37.9 t-105 -62.02 -39.67 93.05 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 171.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -74.43 -27.69 60.72 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 119.407 -0.33 . . . . 0.0 110.75 177.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.9 m0 -68.18 -16.06 63.83 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.833 0.742 . . . . 0.0 111.7 176.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 18.6 tpp85 -112.81 -20.09 11.75 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 122.915 0.486 . . . . 0.0 111.873 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -126.66 5.62 6.76 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -172.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 36.3 t -74.46 -16.35 60.86 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.048 0.84 . . . . 0.0 109.818 174.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.9 ptp -77.07 152.53 35.02 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.935 0.494 . . . . 0.0 109.96 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -79.9 -10.31 59.76 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -178.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -75.88 -20.7 77.64 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-O 119.374 -0.681 . . . . 0.0 112.772 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 79.2 mt -125.04 23.85 7.67 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 117.799 0.799 . . . . 0.0 110.921 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -68.09 -2.16 7.31 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.19 0.596 . . . . 0.0 112.095 -177.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -95.75 -1.24 50.21 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.902 0.881 . . . . 0.0 112.256 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -77.53 157.65 30.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 118.294 0.497 . . . . 0.0 110.391 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 49.8 m -137.46 148.17 60.66 Favored Pre-proline 0 C--O 1.234 0.24 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -68.82 150.79 74.08 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 123.539 2.826 . . . . 0.0 111.497 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 124.435 1.094 . . . . 0.0 108.902 179.247 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 40.4 tp . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 35.5 t -56.64 138.59 52.21 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 178.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -94.96 -2.83 49.69 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -172.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 42.5 mm -114.62 -25.69 3.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 118.886 0.766 . . . . 0.0 111.19 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 6.4 p -142.24 -17.6 0.73 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -177.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 5.6 p 45.21 30.4 0.64 Allowed 'General case' 0 C--N 1.343 0.299 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 13.0 t -85.43 -19.0 31.98 Favored 'General case' 0 N--CA 1.457 -0.119 0 O-C-N 122.179 -0.326 . . . . 0.0 111.791 -177.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -148.83 163.11 27.14 Favored Pre-proline 0 N--CA 1.45 -0.435 0 C-N-CA 123.394 0.678 . . . . 0.0 109.818 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -56.96 8.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 1 C-N-CA 126.005 4.47 . . . . 0.0 116.695 -172.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 64.19 73.93 0.51 Allowed Glycine 0 CA--C 1.525 0.659 0 CA-C-N 119.447 1.021 . . . . 0.0 110.98 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -73.1 -8.49 22.21 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.835 3.023 . . . . 0.0 112.059 -176.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -125.32 157.75 35.91 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.191 0.519 . . . . 0.0 111.673 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -149.34 158.18 43.95 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.565 1.146 . . . . 0.0 108.203 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 9.0 t -129.24 159.76 35.1 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.223 0.465 . . . . 0.0 110.353 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 48.4 tpt85 -103.65 -17.25 15.21 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -169.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -79.3 154.82 28.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 118.874 0.761 . . . . 0.0 110.838 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -73.47 -5.24 38.79 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 32.6 m -92.74 -14.94 8.23 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 CA-C-N 117.767 0.258 . . . . 0.0 111.117 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 11.3 p -146.76 40.17 1.07 Allowed 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.966 0.506 . . . . 0.0 110.898 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -75.15 47.64 0.37 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.693 0.797 . . . . 0.0 112.083 -177.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -135.72 171.24 14.73 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.016 0.926 . . . . 0.0 110.219 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -85.74 148.57 25.79 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.982 0.42 . . . . 0.0 110.501 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -146.99 174.65 11.33 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.571 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.506 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 19.2 p -126.21 178.41 5.82 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.897 1.279 . . . . 0.0 108.376 175.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -55.48 -41.4 72.93 Favored 'General case' 0 C--O 1.231 0.106 0 O-C-N 121.813 -0.554 . . . . 0.0 111.433 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 73.0 m -66.37 -49.22 67.61 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -174.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 10.2 p -88.57 -15.73 34.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -174.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -62.59 -38.58 90.69 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 171.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -75.1 -29.67 60.69 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.545 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -70.46 -8.93 54.81 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.562 0.619 . . . . 0.0 111.426 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -123.93 -2.28 8.25 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -139.5 1.24 1.93 Allowed 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 30.3 t -80.12 -15.03 57.99 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.903 0.774 . . . . 0.0 109.908 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.8 ptp -71.87 147.06 47.49 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 176.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -67.13 -11.87 58.45 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -175.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -82.5 -20.86 61.22 Favored Glycine 0 CA--C 1.529 0.918 0 CA-C-O 118.838 -0.979 . . . . 0.0 113.877 -176.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 78.7 mt -127.15 22.01 6.68 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.676 1.238 . . . . 0.0 112.751 -173.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -71.49 -0.02 9.48 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.746 -0.596 . . . . 0.0 112.08 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 54.2 p-80 -90.19 -2.12 58.02 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.981 0.513 . . . . 0.0 111.687 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -79.65 160.3 26.4 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.932 0.493 . . . . 0.0 111.046 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 69.9 m -139.22 147.33 52.76 Favored Pre-proline 0 N--CA 1.453 -0.3 0 C-N-CA 124.09 0.956 . . . . 0.0 108.564 176.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.19 134.54 25.2 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 123.295 2.663 . . . . 0.0 111.487 -176.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 CA--C 1.529 0.172 0 C-N-CA 124.436 1.094 . . . . 0.0 108.922 174.536 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . 0.415 HD22 ' HB2' ' A' ' 439' ' ' SER . 43.2 tp . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.461 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 36.3 t -59.66 127.12 30.42 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 175.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -86.23 3.82 41.43 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 112.602 0.594 . . . . 0.0 112.602 -174.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 35.0 mm -122.45 -24.98 2.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 117.88 0.309 . . . . 0.0 110.498 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.426 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 9.1 m -121.19 -35.03 3.37 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 122.219 0.208 . . . . 0.0 111.204 -174.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' SER . . . . . 0.415 ' HB2' HD22 ' A' ' 434' ' ' LEU . 13.2 p 41.61 27.41 0.06 Allowed 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.974 1.31 . . . . 0.0 114.111 -176.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 75.4 m -94.57 -10.45 32.01 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.408 0.683 . . . . 0.0 110.328 177.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -152.41 160.18 31.64 Favored Pre-proline 0 C--O 1.233 0.229 0 C-N-CA 124.233 1.013 . . . . 0.0 109.002 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -56.11 -9.45 3.32 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 124.396 3.397 . . . . 0.0 114.633 -175.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 75.82 91.26 0.21 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 -177.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -73.76 -7.38 20.02 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.623 2.882 . . . . 0.0 111.557 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -127.38 159.01 35.76 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 122.771 0.428 . . . . 0.0 111.453 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -145.64 151.02 37.39 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.503 1.121 . . . . 0.0 108.177 175.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 34.7 t -117.69 124.75 49.29 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.452 ' H ' ' CD ' ' A' ' 448' ' ' ARG . 0.0 OUTLIER -93.43 7.27 45.17 Favored 'General case' 0 CA--C 1.527 0.088 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -172.342 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -82.3 158.64 23.37 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.089 0.471 . . . . 0.0 111.093 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -72.82 -2.96 22.62 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 123.387 0.675 . . . . 0.0 112.56 -174.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 20.3 m -113.58 -0.51 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 122.781 0.433 . . . . 0.0 111.644 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 62.2 m -120.72 -69.94 0.81 Allowed 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 176.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 26.8 t80 47.24 33.22 2.45 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.278 1.431 . . . . 0.0 113.956 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -141.16 167.71 21.53 Favored 'General case' 0 C--N 1.339 0.15 0 O-C-N 121.891 -0.505 . . . . 0.0 111.334 -176.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -86.59 149.6 24.82 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.31 0.644 . . . . 0.0 109.598 175.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -148.98 172.64 14.39 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.401 0.62 . . . . 0.0 110.8 -176.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 22.0 p -124.3 176.71 6.27 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.491 1.516 . . . . 0.0 107.877 174.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -57.49 -35.34 70.09 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.241 0.473 . . . . 0.0 111.453 -174.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 75.1 m -67.12 -51.48 53.52 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 122.482 0.313 . . . . 0.0 111.349 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' CYS . . . . . 0.461 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 15.5 p -86.81 -16.71 35.37 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -174.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -63.19 -38.24 90.39 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 172.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -77.86 -26.94 49.64 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.846 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 47.2 m0 -70.33 -13.81 62.31 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 118.62 0.646 . . . . 0.0 111.194 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.5 tpp85 -113.97 -16.37 12.18 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 122.874 0.47 . . . . 0.0 112.088 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -130.1 0.72 4.7 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -172.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 32.3 t -78.47 -14.0 59.57 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.899 0.772 . . . . 0.0 109.84 174.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.6 ptp -74.61 152.99 39.18 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.845 0.458 . . . . 0.0 109.77 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -72.36 -14.97 61.86 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.425 -0.172 . . . . 0.0 111.373 -176.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -79.12 -29.06 52.31 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-O 119.08 -0.844 . . . . 0.0 113.248 -176.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 66.2 mt -125.23 19.88 8.2 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.398 1.099 . . . . 0.0 112.212 -175.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -68.96 0.6 4.28 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -96.96 -2.36 43.78 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.579 0.751 . . . . 0.0 112.247 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -74.82 157.08 35.75 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.161 0.437 . . . . 0.0 110.189 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 50.6 m -134.81 141.11 37.31 Favored Pre-proline 0 C--O 1.232 0.159 0 CA-C-O 119.184 -0.436 . . . . 0.0 110.027 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -58.08 157.83 23.77 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 123.639 2.893 . . . . 0.0 113.422 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 30.3 tp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 176.355 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 3.2 tp . . . . . 0 N--CA 1.451 -0.418 0 N-CA-C 110.71 -0.107 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 39.6 t -58.04 129.19 40.8 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 174.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -83.22 1.35 41.2 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.988 -0.445 . . . . 0.0 111.933 -175.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 30.9 mm -122.54 -21.33 3.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 122.689 0.396 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 19.3 m -126.44 -26.15 3.35 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.633 0.373 . . . . 0.0 111.884 -173.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 16.0 p 40.04 38.25 0.47 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.298 1.439 . . . . 0.0 114.344 176.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 67.6 m -121.39 -0.14 9.89 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.242 0.617 . . . . 0.0 111.797 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . 0.401 ' C ' ' H ' ' A' ' 443' ' ' GLY . 0.1 OUTLIER -148.73 155.54 41.35 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 124.334 1.054 . . . . 0.0 109.525 -179.477 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -69.42 24.0 0.16 Allowed 'Trans proline' 0 CA--C 1.534 0.498 0 C-N-CA 125.033 3.822 . . . . 0.0 113.686 -176.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 441' ' ' GLN . . . 64.92 74.89 0.43 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 176.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -69.65 -9.4 26.05 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 123.299 2.666 . . . . 0.0 111.451 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -132.05 152.82 50.95 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 121.245 0.545 . . . . 0.0 111.516 177.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -151.78 161.1 43.21 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.975 1.31 . . . . 0.0 108.525 177.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 6.5 t -135.7 154.5 51.25 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 117.86 0.3 . . . . 0.0 110.197 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -103.07 -3.45 25.91 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -173.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.55 155.16 23.44 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 118.68 0.673 . . . . 0.0 111.055 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -74.99 -4.65 39.53 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.349 0.66 . . . . 0.0 112.197 -175.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.39 -8.39 9.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' CYS . . . . . 0.434 ' C ' ' H ' ' A' ' 454' ' ' LYS . 11.3 p -149.04 35.94 0.76 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.015 0.526 . . . . 0.0 110.914 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -68.84 22.62 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.809 1.244 . . . . 0.0 113.376 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' A' ' 452' ' ' CYS . 99.2 mttt -107.88 164.57 12.15 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.408 0.683 . . . . 0.0 111.289 -175.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -81.02 146.46 30.65 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -143.69 170.93 14.93 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.325 0.583 . . . . 0.0 111.222 -175.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 27.4 p -117.5 179.03 4.17 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.31 1.444 . . . . 0.0 107.457 172.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -61.11 -32.42 72.1 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.658 0.663 . . . . 0.0 111.526 -174.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 19.5 t -73.01 -50.74 21.38 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 122.172 0.189 . . . . 0.0 111.311 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 16.9 p -82.61 -16.01 50.01 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 -178.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -61.16 -41.53 96.94 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 170.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -71.92 -29.16 64.02 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.735 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 52.8 m0 -69.67 -12.22 61.46 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 118.793 0.724 . . . . 0.0 111.591 177.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -118.68 -7.88 10.47 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -139.06 -1.14 1.79 Allowed 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -174.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 22.9 t -81.12 -13.78 58.35 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 119.047 0.839 . . . . 0.0 109.921 175.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.6 ptp -73.49 150.87 41.29 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.999 0.519 . . . . 0.0 109.825 176.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -69.95 -7.23 38.85 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -84.38 -30.99 26.16 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 118.871 -0.961 . . . . 0.0 112.743 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 67.2 mt -126.67 14.93 7.56 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 118.345 1.072 . . . . 0.0 112.774 -174.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -70.02 2.02 3.98 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.933 -0.48 . . . . 0.0 112.128 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -94.44 -1.72 53.1 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.559 0.744 . . . . 0.0 112.055 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -76.45 164.11 26.3 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.732 0.413 . . . . 0.0 110.816 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 52.7 m -124.56 146.87 53.84 Favored Pre-proline 0 N--CA 1.454 -0.27 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -74.79 136.49 20.93 Favored 'Trans proline' 0 N--CA 1.45 -1.057 0 C-N-CA 123.248 2.632 . . . . 0.0 112.043 -176.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 CA--C 1.528 0.134 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 172.73 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.8 mm? . . . . . 0 CA--C 1.531 0.245 0 CA-C-O 121.181 0.515 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 40.1 t -52.4 142.65 16.9 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.384 0.674 . . . . 0.0 109.76 172.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -84.78 0.3 51.2 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 -174.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 34.5 mm -118.7 -20.42 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.126 0 CA-C-N 118.396 0.544 . . . . 0.0 111.578 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.2 p -135.26 -18.3 1.76 Allowed 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -177.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 21.2 p 41.35 40.72 1.3 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 26.3 m -126.91 -0.25 6.61 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 124.414 1.086 . . . . 0.0 111.432 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -134.94 158.19 75.47 Favored Pre-proline 0 N--CA 1.454 -0.226 0 C-N-CA 124.05 0.94 . . . . 0.0 109.424 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -62.67 -2.35 3.36 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 124.887 3.725 . . . . 0.0 115.089 -171.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 61.53 49.94 71.64 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -175.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -70.97 -9.63 26.05 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 124.044 3.163 . . . . 0.0 112.877 -172.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -119.44 154.4 33.76 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.123 0.487 . . . . 0.0 111.664 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -147.84 152.96 38.52 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.782 1.233 . . . . 0.0 108.333 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' CYS . . . . . 0.404 ' SG ' ' SG ' ' A' ' 452' ' ' CYS . 9.1 t -125.68 152.12 45.67 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.795 0.331 . . . . 0.0 110.918 -177.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 45.7 mtm105 -92.88 -7.7 45.45 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -171.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.21 157.48 17.15 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 118.819 0.736 . . . . 0.0 110.856 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -73.98 -6.06 45.09 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -175.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 28.2 m -97.2 -10.18 8.89 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 CA-C-N 117.821 0.282 . . . . 0.0 111.345 -178.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' CYS . . . . . 0.404 ' SG ' ' SG ' ' A' ' 447' ' ' CYS . 4.2 p -146.93 36.31 0.94 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.604 0.762 . . . . 0.0 110.363 176.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -73.72 34.61 0.08 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.514 1.125 . . . . 0.0 113.194 -175.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -131.67 170.21 15.1 Favored 'General case' 0 N--CA 1.458 -0.053 0 C-N-CA 123.813 0.845 . . . . 0.0 109.852 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -82.31 143.21 31.45 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -145.72 165.88 27.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.193 0.597 . . . . 0.0 110.69 -177.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 23.5 p -103.45 177.55 4.81 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.383 1.073 . . . . 0.0 109.166 173.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -58.92 -31.09 68.34 Favored 'General case' 0 CA--C 1.528 0.098 0 O-C-N 122.065 -0.397 . . . . 0.0 111.659 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 8.2 t -72.13 -48.6 42.51 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.822 0.82 . . . . 0.0 109.913 -178.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 37.6 m -80.2 -19.91 45.93 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.684 -172.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -67.19 -41.35 86.02 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 171.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -72.47 -16.35 61.8 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.885 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 54.3 m0 -86.71 -12.98 46.69 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.037 0.38 . . . . 0.0 111.82 175.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -109.73 -1.74 17.81 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 123.176 0.59 . . . . 0.0 111.8 175.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -136.9 19.43 3.03 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 117.944 0.338 . . . . 0.0 111.704 -177.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 54.8 p -68.37 -26.52 65.62 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 122.523 0.329 . . . . 0.0 111.045 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.3 ptp -82.17 152.25 26.56 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 122.781 0.433 . . . . 0.0 110.795 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -73.17 -9.44 58.72 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.627 0.371 . . . . 0.0 111.898 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -81.77 -13.5 79.64 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-O 118.966 -0.908 . . . . 0.0 113.551 -176.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 66.8 mt -119.91 19.14 12.44 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 118.616 1.208 . . . . 0.0 112.0 -177.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -74.53 0.55 14.47 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -90.62 -3.19 57.71 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.351 0.66 . . . . 0.0 111.478 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 41.3 m170 -76.13 162.98 27.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.345 0.658 . . . . 0.0 111.67 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 75.6 p -144.62 149.61 44.2 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 123.893 0.877 . . . . 0.0 109.394 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -68.63 156.11 66.62 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 123.563 2.842 . . . . 0.0 111.004 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 11.9 tp . . . . . 0 N--CA 1.453 -0.319 0 C-N-CA 123.341 0.656 . . . . 0.0 109.573 -179.304 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . 0.405 ' HB3' ' HA ' ' A' ' 439' ' ' SER . 2.6 mm? . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 121.083 0.468 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.531 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 30.8 t -54.03 135.75 42.6 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 169.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -71.91 -10.42 59.75 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -173.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 39.8 mm -122.47 -26.77 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 122.378 0.271 . . . . 0.0 110.999 -176.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 26.1 m -105.17 -24.08 12.8 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -173.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' SER . . . . . 0.405 ' HA ' ' HB3' ' A' ' 434' ' ' LEU . 22.6 p 35.96 48.14 0.48 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.803 1.241 . . . . 0.0 114.131 177.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 44.7 m -131.32 -16.83 3.06 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.211 0.605 . . . . 0.0 111.822 -177.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -158.52 158.24 29.36 Favored Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 123.683 0.793 . . . . 0.0 109.284 177.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -65.39 107.46 1.01 Allowed 'Trans proline' 0 N--CA 1.449 -1.146 0 C-N-CA 122.561 2.174 . . . . 0.0 107.887 170.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -51.1 136.11 30.47 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 123.238 0.447 . . . . 0.0 112.013 -177.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -75.12 -7.83 19.4 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 124.381 3.387 . . . . 0.0 111.541 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -130.39 156.53 44.57 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.91 0.484 . . . . 0.0 111.216 -179.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -136.26 137.85 41.19 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 173.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 19.0 t -100.25 116.28 31.86 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -87.3 6.14 34.92 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -172.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.55 156.31 22.85 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.039 -0.413 . . . . 0.0 110.662 177.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -70.84 -18.56 62.71 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -172.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 27.5 m -91.56 -8.18 10.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 118.474 0.579 . . . . 0.0 111.726 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 62.5 m -113.57 -65.66 1.16 Allowed 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 22.2 t80 47.93 25.71 0.81 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.931 1.692 . . . . 0.0 114.771 175.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -140.89 173.09 11.82 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.5 0.591 . . . . 0.0 111.465 -177.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -82.59 150.0 27.13 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.537 0.735 . . . . 0.0 110.688 177.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -151.01 173.84 13.85 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.474 0.709 . . . . 0.0 110.114 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.489 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 21.5 p -125.74 174.0 8.63 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.65 1.18 . . . . 0.0 108.256 175.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -58.37 -34.26 70.49 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.938 -0.477 . . . . 0.0 112.013 -172.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 74.9 m -69.05 -48.68 62.2 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -176.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' CYS . . . . . 0.531 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 23.3 p -88.95 -16.73 31.06 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 111.449 0.166 . . . . 0.0 111.449 -174.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -62.75 -39.38 93.96 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 171.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -73.7 -30.28 62.77 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.589 177.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 47.1 m0 -70.06 -12.37 61.56 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.661 0.664 . . . . 0.0 111.523 178.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 27.8 mmt85 -118.69 -4.31 10.76 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 178.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -133.33 3.56 3.64 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 73.2 m -76.87 -13.79 59.96 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 121.368 -0.832 . . . . 0.0 110.591 173.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.3 ptp -73.51 151.33 41.04 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 176.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -72.02 -17.55 62.03 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -175.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -78.58 -22.06 67.91 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 118.978 -0.901 . . . . 0.0 113.827 -175.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 58.9 mt -120.56 25.04 10.01 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 118.576 1.188 . . . . 0.0 112.14 -174.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 29.5 mmt85 -68.81 -2.55 9.74 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.943 0.497 . . . . 0.0 112.163 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -97.42 -1.65 43.85 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.696 0.798 . . . . 0.0 112.47 -175.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -75.88 158.51 32.0 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 118.269 0.486 . . . . 0.0 111.128 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 54.3 p -145.97 147.82 33.46 Favored Pre-proline 0 N--CA 1.453 -0.302 0 C-N-CA 123.443 0.697 . . . . 0.0 109.79 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -71.78 161.16 45.93 Favored 'Trans proline' 0 N--CA 1.449 -1.114 0 C-N-CA 123.461 2.774 . . . . 0.0 111.336 -177.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 53.7 tp . . . . . 0 N--CA 1.454 -0.245 0 C-N-CA 123.709 0.803 . . . . 0.0 109.315 179.27 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 121.169 0.509 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.546 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 12.0 t -56.97 137.66 55.26 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 169.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -78.89 -0.77 32.1 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 33.3 mm -123.44 -24.34 2.29 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 C-N-CA 122.689 0.395 . . . . 0.0 110.877 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.463 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 30.6 m -114.9 -24.85 8.44 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -172.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 20.3 p 41.94 39.19 1.21 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.117 0.967 . . . . 0.0 113.116 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 79.3 p -134.56 -14.13 2.23 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.584 0.754 . . . . 0.0 112.332 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -132.11 159.91 70.11 Favored Pre-proline 0 N--CA 1.456 -0.17 0 C-N-CA 123.882 0.873 . . . . 0.0 109.264 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -62.45 6.94 0.16 Allowed 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 124.949 3.766 . . . . 0.0 114.975 -175.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 57.75 58.46 14.49 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 -175.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -70.87 -11.08 28.89 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 123.967 3.112 . . . . 0.0 112.404 -169.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -121.37 151.76 39.78 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.101 0.477 . . . . 0.0 111.479 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -149.21 155.38 40.54 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.889 0.876 . . . . 0.0 108.73 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' CYS . . . . . 0.414 ' SG ' ' SG ' ' A' ' 452' ' ' CYS . 7.6 t -131.13 162.13 30.58 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 122.744 0.417 . . . . 0.0 110.391 -176.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 48.7 tpt85 -100.59 -16.98 17.28 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 -170.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.72 155.75 24.13 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.708 0.685 . . . . 0.0 110.866 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -70.54 -4.36 22.61 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.224 0.609 . . . . 0.0 112.314 -175.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 23.3 m -101.06 -8.81 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 122.647 0.379 . . . . 0.0 111.298 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' CYS . . . . . 0.414 ' SG ' ' SG ' ' A' ' 447' ' ' CYS . 3.9 p -146.19 32.28 1.0 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.625 0.77 . . . . 0.0 111.142 176.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -75.37 38.14 0.14 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.388 1.075 . . . . 0.0 112.349 -177.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -132.84 167.36 20.34 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 123.696 0.799 . . . . 0.0 110.207 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -83.13 140.14 32.78 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -143.94 170.44 15.9 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.305 0.642 . . . . 0.0 110.993 -174.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.473 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 22.6 p -116.27 179.82 3.88 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.178 1.391 . . . . 0.0 107.846 173.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 61.4 ttt85 -60.3 -31.66 70.47 Favored 'General case' 0 N--CA 1.462 0.131 0 O-C-N 121.692 -0.63 . . . . 0.0 111.813 -173.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 17.5 t -73.06 -49.72 27.01 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 120.437 0.161 . . . . 0.0 111.374 -174.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' CYS . . . . . 0.546 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 7.0 p -84.02 -16.18 44.87 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 119.585 -0.245 . . . . 0.0 111.422 -178.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -62.83 -39.31 93.94 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 170.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -72.35 -27.73 62.59 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.187 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.7 m0 -72.98 -10.08 59.42 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.784 0.72 . . . . 0.0 111.584 176.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -115.52 -3.96 12.32 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 118.875 -0.584 . . . . 0.0 112.317 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -138.35 14.51 2.79 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.889 0.768 . . . . 0.0 112.985 -176.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 58.5 p -72.12 -24.99 61.55 Favored 'General case' 0 C--O 1.232 0.148 0 O-C-N 122.11 -0.369 . . . . 0.0 110.981 176.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 21.7 ptp -76.44 145.38 39.32 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 122.776 0.43 . . . . 0.0 110.119 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.39 -10.02 57.92 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -175.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -80.87 -15.22 78.07 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-O 118.753 -1.026 . . . . 0.0 112.727 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 68.1 mt -123.03 13.08 9.72 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 118.606 1.203 . . . . 0.0 112.765 -176.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -74.58 4.62 5.84 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 118.738 0.699 . . . . 0.0 111.842 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -90.7 -3.99 57.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.653 0.781 . . . . 0.0 111.301 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -77.35 160.53 28.73 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.213 0.605 . . . . 0.0 111.221 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 62.8 m -138.82 132.48 16.17 Favored Pre-proline 0 C--O 1.233 0.214 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -62.09 142.08 90.97 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 122.796 2.331 . . . . 0.0 113.011 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 170.725 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 3.5 tp . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.517 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 38.4 t -60.23 127.97 34.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 173.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -81.1 2.77 25.92 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 32.6 mm -127.01 -23.85 1.64 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.173 0 C-N-CA 122.767 0.427 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 19.2 m -120.27 -27.36 5.26 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.883 0.473 . . . . 0.0 111.796 -173.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 19.6 p 40.18 39.25 0.62 Allowed 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 177.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 37.2 m -122.66 0.02 9.23 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 123.143 0.577 . . . . 0.0 111.497 177.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.41 155.81 45.93 Favored Pre-proline 0 N--CA 1.455 -0.224 0 C-N-CA 124.273 1.029 . . . . 0.0 109.277 -179.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -71.55 29.82 0.24 Allowed 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 125.005 3.804 . . . . 0.0 113.066 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 59.03 75.06 0.29 Allowed Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -70.32 -8.49 23.73 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.307 2.672 . . . . 0.0 111.604 -176.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -136.07 152.94 51.4 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.326 0.584 . . . . 0.0 111.958 178.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -151.56 151.94 32.24 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 452' ' ' CYS . 7.2 t -121.28 141.04 51.28 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -177.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -86.75 -2.39 58.51 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -174.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -88.43 155.28 19.77 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 118.145 0.43 . . . . 0.0 110.855 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' GLN . . . . . 0.429 ' H ' ' CD ' ' A' ' 450' ' ' GLN . 0.0 OUTLIER -77.37 -0.74 26.85 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -174.569 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 28.8 m -102.95 -9.51 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 C-N-CA 122.497 0.319 . . . . 0.0 111.47 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 447' ' ' CYS . 2.5 p -145.92 36.69 1.04 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.359 0.664 . . . . 0.0 110.29 177.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -74.26 41.58 0.14 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.818 1.247 . . . . 0.0 112.764 -176.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -134.89 165.6 24.94 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 123.344 0.658 . . . . 0.0 110.598 -177.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -80.25 139.85 36.49 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 121.0 0.428 . . . . 0.0 109.935 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -145.69 174.12 11.48 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.548 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 26.5 p -119.18 -178.65 3.63 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.046 1.339 . . . . 0.0 107.768 174.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -62.43 -26.07 68.3 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.511 -0.743 . . . . 0.0 111.932 -174.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 21.7 t -76.54 -52.72 9.21 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 117.806 0.275 . . . . 0.0 110.926 -175.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' CYS . . . . . 0.517 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 4.6 p -80.15 -15.49 56.98 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 111.468 0.173 . . . . 0.0 111.468 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 37.3 t-105 -64.58 -41.57 96.17 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -71.97 -19.79 61.83 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.668 177.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 53.6 m0 -81.48 -14.4 57.04 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.596 0.634 . . . . 0.0 111.813 175.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -105.32 -5.96 20.05 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.234 0.47 . . . . 0.0 111.216 175.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -134.68 23.03 3.64 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 117.827 0.285 . . . . 0.0 111.472 -177.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 53.8 p -70.1 -22.68 63.01 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 123.145 0.578 . . . . 0.0 111.496 177.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.9 ptp -94.1 140.43 29.75 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.93 -8.78 24.36 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 -177.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -75.2 -15.47 81.12 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 118.686 -1.063 . . . . 0.0 112.884 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 62.8 mt -123.79 8.12 8.78 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.225 1.013 . . . . 0.0 112.619 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -78.35 7.53 6.36 Favored 'General case' 0 C--O 1.232 0.157 0 O-C-N 121.469 -0.77 . . . . 0.0 111.708 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -88.47 -3.16 58.88 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.579 0.751 . . . . 0.0 110.569 174.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -73.81 168.21 19.87 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.913 0.885 . . . . 0.0 110.804 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 78.2 p -136.16 148.33 64.14 Favored Pre-proline 0 N--CA 1.456 -0.134 0 C-N-CA 123.026 0.53 . . . . 0.0 110.188 177.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -72.35 162.18 42.26 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.694 2.929 . . . . 0.0 111.77 -177.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 16.3 tp . . . . . 0 N--CA 1.454 -0.24 0 C-N-CA 124.058 0.943 . . . . 0.0 108.634 177.529 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 21.2 tp . . . . . 0 N--CA 1.448 -0.551 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.523 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 42.5 t -58.56 146.09 36.98 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -92.54 -13.08 30.27 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -169.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 44.3 mm -114.97 -26.75 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 118.751 0.705 . . . . 0.0 111.801 -176.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 5.3 p -129.91 -22.56 2.89 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 118.911 -0.566 . . . . 0.0 111.895 -176.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 5.0 p 45.47 25.73 0.25 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.714 1.206 . . . . 0.0 113.429 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 60.5 m -82.98 -12.44 57.29 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 122.597 0.359 . . . . 0.0 111.337 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -158.13 157.58 29.34 Favored Pre-proline 0 N--CA 1.454 -0.267 0 C-N-CA 123.39 0.676 . . . . 0.0 110.02 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.33 106.21 1.17 Allowed 'Trans proline' 0 N--CA 1.452 -0.968 0 C-N-CA 122.382 2.055 . . . . 0.0 107.468 170.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -50.47 120.52 8.75 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-O 119.823 -0.432 . . . . 0.0 112.042 -175.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -76.79 -7.62 17.6 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 124.029 3.153 . . . . 0.0 111.25 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -126.67 159.23 34.25 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.232 0.539 . . . . 0.0 111.421 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -138.34 154.2 48.98 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 176.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' CYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 43.4 t -131.26 131.52 43.93 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -177.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -108.57 82.51 1.62 Allowed 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.121 0.569 . . . . 0.0 110.926 -173.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -137.12 174.19 10.88 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.198 175.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -72.67 -13.21 61.3 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.264 0.625 . . . . 0.0 110.912 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 16.2 m -120.05 -14.16 8.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 C-N-CA 122.679 0.391 . . . . 0.0 111.693 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' CYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 79.8 m -91.46 -97.94 0.12 Allowed 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 175.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 25.5 t80 54.8 32.46 17.63 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.574 1.149 . . . . 0.0 112.87 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -143.28 168.62 19.36 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.593 0.757 . . . . 0.0 110.491 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -84.86 149.63 25.55 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.072 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -148.19 170.21 18.35 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.85 0.46 . . . . 0.0 110.514 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.491 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 23.9 p -121.22 173.45 7.3 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 174.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -57.31 -38.02 73.38 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.909 -0.494 . . . . 0.0 111.567 -171.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 73.1 m -69.16 -51.54 37.19 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -175.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' CYS . . . . . 0.523 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 25.0 p -84.22 -13.88 51.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.698 -175.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' TRP . . . . . 0.401 ' CZ3' ' HB2' ' A' ' 447' ' ' CYS . 17.6 t-105 -63.71 -41.17 98.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 170.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -74.09 -23.13 59.29 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.156 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 47.7 m0 -75.07 -18.7 60.25 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 118.546 0.612 . . . . 0.0 111.758 176.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -113.78 -1.61 13.89 Favored 'General case' 0 C--N 1.34 0.169 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -132.56 9.3 4.29 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 62.9 p -76.59 -23.21 53.46 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 122.01 -0.432 . . . . 0.0 110.502 174.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 20.2 ptp -73.56 142.36 46.65 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.076 0.55 . . . . 0.0 109.981 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -66.47 -17.05 64.58 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.735 0.414 . . . . 0.0 111.703 -172.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -75.56 -18.76 79.68 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 118.88 -0.956 . . . . 0.0 113.393 -177.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 69.6 mt -124.92 16.72 8.59 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.48 1.14 . . . . 0.0 113.126 -175.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -72.28 1.26 8.02 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 121.668 -0.645 . . . . 0.0 112.203 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 53.0 p-80 -88.7 -2.6 58.68 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.197 0.599 . . . . 0.0 111.557 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -78.87 158.99 27.99 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.183 0.515 . . . . 0.0 110.879 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 77.7 p -145.15 151.39 48.18 Favored Pre-proline 0 N--CA 1.454 -0.247 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -66.03 153.72 76.94 Favored 'Trans proline' 0 N--CA 1.45 -1.048 0 C-N-CA 123.523 2.815 . . . . 0.0 110.821 -177.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 26.1 tp . . . . . 0 N--CA 1.454 -0.23 0 C-N-CA 123.614 0.766 . . . . 0.0 109.286 -178.229 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 2.1 tp . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.505 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 38.7 t -54.45 129.95 37.73 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -80.11 1.44 27.95 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -176.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 32.9 mm -124.39 -23.86 2.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 122.754 0.422 . . . . 0.0 110.575 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.448 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 18.7 m -119.13 -28.33 5.49 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.614 0.366 . . . . 0.0 111.375 -174.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 12.2 p 38.03 38.26 0.18 Allowed 'General case' 0 C--N 1.339 0.151 0 C-N-CA 125.717 1.607 . . . . 0.0 114.507 177.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 75.3 m -110.06 -11.62 14.6 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.646 0.378 . . . . 0.0 111.826 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -159.87 161.94 25.53 Favored Pre-proline 0 N--CA 1.453 -0.304 0 C-N-CA 122.856 0.463 . . . . 0.0 109.961 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.62 108.01 0.38 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 123.127 2.551 . . . . 0.0 108.141 169.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -52.63 122.63 20.16 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -177.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -75.08 -7.89 19.49 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.944 3.096 . . . . 0.0 112.187 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -126.0 148.03 49.39 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 118.392 0.542 . . . . 0.0 112.264 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -154.57 152.03 29.55 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.287 1.035 . . . . 0.0 109.506 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 68.7 m -116.54 142.16 47.24 Favored 'General case' 0 C--O 1.23 0.077 0 C-N-CA 123.137 0.575 . . . . 0.0 110.417 176.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -82.65 -4.73 58.19 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.836 174.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.84 153.97 36.46 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.524 0.73 . . . . 0.0 110.103 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -80.41 -16.01 55.47 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -174.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 34.8 m -84.62 -14.34 11.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 O-C-N 122.028 -0.42 . . . . 0.0 112.092 -177.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' CYS . . . . . 0.41 ' SG ' ' CE1' ' A' ' 473' ' ' HIS . 14.9 p -148.55 43.89 1.02 Allowed 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.177 0.591 . . . . 0.0 110.053 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -73.14 41.3 0.1 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.636 1.174 . . . . 0.0 111.892 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -132.37 168.95 17.23 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.144 0.978 . . . . 0.0 110.075 -177.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -87.35 147.15 25.61 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.892 0.377 . . . . 0.0 110.603 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -146.5 172.21 13.89 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.451 0.7 . . . . 0.0 110.409 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.465 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 18.8 p -125.54 178.92 5.37 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.969 1.308 . . . . 0.0 108.513 176.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -55.29 -38.88 69.2 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 121.594 -0.691 . . . . 0.0 112.051 -172.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 73.3 m -68.04 -50.28 56.24 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.499 0.319 . . . . 0.0 111.66 -175.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' CYS . . . . . 0.505 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 8.9 p -87.56 -15.95 35.98 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -174.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -62.36 -40.48 96.56 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 171.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -74.83 -27.08 60.14 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.879 177.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 43.2 m0 -72.95 -7.62 51.88 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.308 0.504 . . . . 0.0 111.431 175.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -123.92 -2.69 8.22 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 177.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -139.55 2.73 2.05 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -177.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 37.3 t -75.6 -21.0 58.19 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 118.796 0.726 . . . . 0.0 109.929 175.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.7 ptp -69.06 144.64 53.93 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 175.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -70.26 -6.77 37.2 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -175.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -81.99 -22.11 59.97 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-O 118.999 -0.889 . . . . 0.0 113.376 -177.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 67.4 mt -123.92 18.89 9.33 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.478 1.139 . . . . 0.0 112.955 -174.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -73.24 1.3 9.66 Favored 'General case' 0 N--CA 1.462 0.174 0 O-C-N 121.653 -0.654 . . . . 0.0 111.862 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 55.3 p-80 -92.62 -0.72 57.27 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.442 0.697 . . . . 0.0 111.828 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 473' ' ' HIS . . . . . 0.41 ' CE1' ' SG ' ' A' ' 452' ' ' CYS . 49.5 m170 -75.55 162.64 28.12 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.053 0.454 . . . . 0.0 110.568 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 43.6 t -130.91 137.03 29.84 Favored Pre-proline 0 N--CA 1.452 -0.327 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 176.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.1 155.98 66.46 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.097 2.531 . . . . 0.0 111.597 -175.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 25.1 tp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 177.883 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.67 0.272 . . . . 0.0 111.465 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.497 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 35.8 t -56.62 134.2 54.31 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 175.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -83.13 1.48 40.2 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -175.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 34.2 mm -124.92 -24.58 1.92 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.147 0 C-N-CA 122.759 0.424 . . . . 0.0 110.257 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.461 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 17.4 m -116.7 -28.05 6.49 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -173.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 12.8 p 37.05 42.61 0.26 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.273 1.429 . . . . 0.0 114.018 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 12.7 t -123.84 -10.24 7.75 Favored 'General case' 0 CA--C 1.527 0.069 0 C-N-CA 122.535 0.334 . . . . 0.0 111.092 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -150.14 155.98 37.48 Favored Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 123.534 0.734 . . . . 0.0 109.731 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -71.58 11.56 0.62 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 124.524 3.483 . . . . 0.0 112.859 -176.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 68.64 101.39 0.03 OUTLIER Glycine 0 CA--C 1.532 1.107 0 C-N-CA 123.556 0.598 . . . . 0.0 111.796 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -74.97 -10.53 21.31 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 123.138 2.559 . . . . 0.0 111.249 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -128.64 162.6 26.94 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.011 0.524 . . . . 0.0 111.989 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -143.25 159.9 41.46 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.265 1.026 . . . . 0.0 108.677 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 45.3 t -130.79 130.97 44.38 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 122.928 0.491 . . . . 0.0 109.676 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -87.29 -3.41 59.04 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -171.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -80.37 155.95 26.94 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.485 0.584 . . . . 0.0 111.334 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -73.76 -9.49 58.71 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -174.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 33.1 m -95.49 -8.25 9.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 118.165 0.439 . . . . 0.0 110.73 176.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 61.8 m -110.9 -73.46 0.68 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 27.0 t80 48.61 23.05 0.57 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.784 1.634 . . . . 0.0 114.269 175.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -142.67 168.33 19.97 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 123.091 0.557 . . . . 0.0 110.96 -177.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -81.42 146.1 30.45 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.102 176.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -150.15 175.78 11.43 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.502 0.721 . . . . 0.0 110.265 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.473 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 14.4 p -120.24 170.35 9.41 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.402 1.081 . . . . 0.0 109.155 177.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -63.14 -24.54 67.94 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 121.768 -0.583 . . . . 0.0 112.28 -174.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 72.7 m -70.02 -55.63 9.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 122.125 -0.359 . . . . 0.0 110.533 -177.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' CYS . . . . . 0.497 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 15.2 p -80.85 -16.87 52.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.947 -176.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 19.9 t-105 -60.82 -45.84 92.88 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 171.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -78.8 -10.38 59.76 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 117.796 0.271 . . . . 0.0 111.594 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 45.7 m0 -85.42 -10.43 56.22 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.554 0.615 . . . . 0.0 111.617 174.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -126.41 -24.53 3.62 Favored 'General case' 0 C--O 1.225 -0.224 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -94.79 14.01 22.75 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.799 0.727 . . . . 0.0 112.473 -176.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 66.0 m -102.47 11.05 38.5 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.214 0.606 . . . . 0.0 112.121 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.3 ptp -115.4 154.56 29.0 Favored 'General case' 0 C--N 1.335 -0.059 0 C-N-CA 123.113 0.565 . . . . 0.0 110.169 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.94 -22.51 49.29 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 -172.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -79.46 -5.71 89.17 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-O 119.494 -0.615 . . . . 0.0 112.986 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.0 mp -139.66 3.78 2.1 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.169 0.985 . . . . 0.0 113.242 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -76.38 15.53 0.58 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 118.94 0.791 . . . . 0.0 112.012 178.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -122.9 7.98 9.33 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.093 0.557 . . . . 0.0 112.088 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -81.34 168.12 18.75 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.859 0.361 . . . . 0.0 110.75 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 78.6 p -127.48 144.82 52.28 Favored Pre-proline 0 N--CA 1.455 -0.217 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -74.58 156.57 44.91 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 123.613 2.875 . . . . 0.0 111.851 -176.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 17.2 tp . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 174.7 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 17.1 tp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.841 -0.059 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.566 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 50.5 t -54.92 144.12 23.99 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.475 0.31 . . . . 0.0 110.188 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -95.15 -18.52 20.86 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -170.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 41.3 mm -103.6 -23.2 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 118.361 0.528 . . . . 0.0 111.302 -176.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 6.5 p -141.22 -16.16 0.84 Allowed 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -176.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 4.0 p 45.2 26.31 0.24 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.287 1.035 . . . . 0.0 113.362 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 64.7 m -90.67 -7.33 52.93 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.91 0.484 . . . . 0.0 111.791 -178.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . 0.41 ' C ' ' H ' ' A' ' 443' ' ' GLY . 55.9 mm-40 -141.1 158.93 63.42 Favored Pre-proline 0 CA--C 1.53 0.209 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 176.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -60.72 8.93 0.08 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.585 1 C-N-CA 125.427 4.085 . . . . 0.0 115.021 -178.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . 0.41 ' H ' ' C ' ' A' ' 441' ' ' GLN . . . 70.77 62.19 3.72 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -175.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -69.43 -10.58 29.19 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 124.009 3.139 . . . . 0.0 111.982 -173.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -133.43 156.73 47.18 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.069 0.462 . . . . 0.0 111.304 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -130.45 156.25 45.08 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.501 1.121 . . . . 0.0 109.447 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 19.3 t -120.85 139.38 53.25 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 32.1 ttp-105 -88.19 -19.72 26.52 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -168.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.98 157.74 24.13 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 118.49 0.586 . . . . 0.0 111.595 -175.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -74.48 -8.98 58.1 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -177.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 30.6 m -89.47 -11.69 10.11 Favored 'Isoleucine or valine' 0 C--N 1.338 0.079 0 CA-C-N 117.77 0.259 . . . . 0.0 111.111 177.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 67.5 m -112.1 -63.25 1.45 Allowed 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 175.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 19.4 t80 47.16 20.56 0.14 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.517 1.927 . . . . 0.0 115.754 173.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -142.03 175.93 9.35 Favored 'General case' 0 C--O 1.23 0.069 0 O-C-N 121.612 -0.68 . . . . 0.0 110.938 -177.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -87.4 149.87 24.18 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.85 0.46 . . . . 0.0 109.963 176.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -149.45 173.48 13.52 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.484 0.714 . . . . 0.0 110.1 -176.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.505 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 28.3 p -114.8 172.75 6.85 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 173.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -64.44 -26.72 68.57 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.52 -0.737 . . . . 0.0 111.76 -173.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 23.2 t -72.14 -50.94 23.89 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 117.667 0.212 . . . . 0.0 110.858 -176.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' CYS . . . . . 0.566 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 15.2 p -82.92 -13.59 55.79 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 122.389 -0.194 . . . . 0.0 111.201 -179.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -61.31 -40.92 95.95 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 169.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -72.48 -26.81 61.94 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.672 176.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.9 m0 -73.13 -11.66 60.62 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.651 0.66 . . . . 0.0 111.676 177.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 87.8 mmt-85 -120.72 -0.89 10.09 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -134.95 12.23 3.63 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.233 0.47 . . . . 0.0 112.219 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 63.8 p -76.92 -19.07 57.84 Favored 'General case' 0 C--O 1.232 0.139 0 O-C-N 121.939 -0.476 . . . . 0.0 110.922 175.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 20.5 ptp -77.03 150.37 35.79 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.364 0.666 . . . . 0.0 109.818 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.3 -8.74 57.46 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -174.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -85.91 -18.11 60.25 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-O 118.977 -0.902 . . . . 0.0 113.391 -176.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 59.2 mt -118.7 20.92 12.75 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.607 1.203 . . . . 0.0 112.189 -176.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -68.62 -5.35 19.5 Favored 'General case' 0 N--CA 1.461 0.111 0 O-C-N 121.853 -0.529 . . . . 0.0 112.189 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -91.0 -2.76 57.65 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.227 0.611 . . . . 0.0 112.397 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -77.15 156.25 31.75 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.17 0.441 . . . . 0.0 110.007 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 66.0 p -136.68 146.69 56.43 Favored Pre-proline 0 N--CA 1.456 -0.146 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 176.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -73.61 113.84 3.88 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 123.126 2.551 . . . . 0.0 111.786 -173.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 N--CA 1.455 -0.213 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 170.19 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 30.4 tp . . . . . 0 N--CA 1.445 -0.676 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.533 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 42.1 t -56.26 137.86 51.42 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.404 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -84.24 -15.71 45.87 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -168.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 43.2 mm -115.84 -24.93 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 118.985 0.812 . . . . 0.0 112.113 -174.449 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.472 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 7.0 p -133.16 -18.12 2.32 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -176.442 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 5.6 p 44.47 30.29 0.48 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.266 1.027 . . . . 0.0 113.581 176.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 18.1 t -86.48 -16.97 35.42 Favored 'General case' 0 CA--C 1.528 0.13 0 O-C-N 122.218 -0.301 . . . . 0.0 111.408 -178.242 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . 0.418 ' C ' ' H ' ' A' ' 443' ' ' GLY . 6.7 pt20 -151.38 156.5 34.92 Favored Pre-proline 0 C--O 1.233 0.207 0 C-N-CA 123.875 0.87 . . . . 0.0 109.48 -179.374 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -68.86 21.53 0.14 Allowed 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 124.976 3.784 . . . . 0.0 113.978 -173.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 441' ' ' GLN . . . 67.5 94.32 0.04 OUTLIER Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.156 0.884 . . . . 0.0 112.424 176.354 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -74.27 -9.8 22.03 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 123.48 2.787 . . . . 0.0 111.35 176.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -133.68 161.29 35.06 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.22 0.608 . . . . 0.0 111.013 -179.662 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -141.45 154.64 45.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.964 0.905 . . . . 0.0 109.208 177.571 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 447' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 49.2 t -134.71 133.26 39.8 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 178.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -105.34 15.44 27.27 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -170.775 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.53 168.99 15.1 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 121.852 -0.53 . . . . 0.0 111.806 -179.053 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -69.34 -20.75 63.86 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.691 0.397 . . . . 0.0 110.832 178.453 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 24.9 m -100.84 -20.29 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 119.283 -0.389 . . . . 0.0 111.638 178.242 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 452' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 71.7 m -92.92 -83.47 0.31 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.272 0.487 . . . . 0.0 111.028 178.149 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 23.3 t80 53.07 22.91 2.71 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.107 1.363 . . . . 0.0 113.603 -179.636 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -143.99 173.64 11.54 Favored 'General case' 0 C--N 1.34 0.16 0 O-C-N 121.821 -0.549 . . . . 0.0 111.559 -177.687 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -84.91 150.53 24.9 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.49 0.716 . . . . 0.0 110.567 178.223 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -149.04 174.52 12.21 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.698 0.799 . . . . 0.0 109.662 -179.635 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 26.3 p -123.99 175.61 6.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.479 0.712 . . . . 0.0 109.532 176.473 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.99 -34.33 65.66 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -174.274 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 51.7 m -75.47 -53.48 8.6 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 122.198 -0.314 . . . . 0.0 111.061 -174.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 460' ' ' CYS . . . . . 0.533 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 8.8 p -79.61 -17.56 53.57 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.831 -0.168 . . . . 0.0 111.393 -175.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -62.71 -45.89 90.64 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 170.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -77.98 -7.96 57.52 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 52.4 m0 -84.79 -18.26 35.57 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 118.518 0.599 . . . . 0.0 111.726 173.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -120.47 -21.47 6.8 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.366 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -100.52 8.7 43.34 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 118.687 0.676 . . . . 0.0 111.99 -177.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 73.3 p -86.99 -15.18 39.51 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 122.932 0.493 . . . . 0.0 111.752 177.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.5 ptp -94.65 156.33 16.47 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.055 0.542 . . . . 0.0 110.468 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -71.78 -8.06 51.96 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -173.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -80.41 -12.64 82.83 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.695 -0.503 . . . . 0.0 112.002 177.339 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.3 mp -137.6 11.01 2.94 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 117.908 0.854 . . . . 0.0 112.135 179.772 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -69.41 -4.85 20.21 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 121.721 -0.612 . . . . 0.0 112.492 -176.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -99.7 3.44 45.04 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.929 0.892 . . . . 0.0 112.223 -176.472 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -79.95 161.73 25.34 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 122.553 0.341 . . . . 0.0 110.556 -178.663 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 68.1 m -134.58 147.3 62.69 Favored Pre-proline 0 N--CA 1.456 -0.145 0 C-N-CA 123.183 0.593 . . . . 0.0 109.478 178.203 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.26 154.55 69.56 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 123.59 2.86 . . . . 0.0 111.399 -177.138 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 13.8 tp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.21 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 25.1 tp . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 42.2 t -60.18 145.9 45.38 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.568 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -97.09 -12.68 22.88 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -171.383 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 45.2 mm -108.16 -27.15 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 118.326 0.512 . . . . 0.0 111.159 -176.678 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.469 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 10.7 p -136.01 -18.38 1.58 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 118.888 -0.577 . . . . 0.0 112.459 -176.324 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 5.9 p 43.25 27.87 0.14 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.495 1.118 . . . . 0.0 113.434 179.27 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 58.9 m -93.94 -10.83 32.45 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.255 0.622 . . . . 0.0 110.224 179.374 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -139.34 160.83 60.37 Favored Pre-proline 0 N--CA 1.448 -0.575 0 C-N-CA 123.467 0.707 . . . . 0.0 109.423 -177.636 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -59.68 -2.85 1.69 Allowed 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 124.827 3.684 . . . . 0.0 115.329 -172.831 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 67.69 58.11 8.1 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.436 -1.065 . . . . 0.0 110.436 -176.668 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -72.56 -8.02 21.84 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 124.099 3.199 . . . . 0.0 112.312 -173.428 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -125.41 162.25 25.24 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.849 0.357 . . . . 0.0 111.659 -177.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -147.29 146.54 29.77 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.129 0.972 . . . . 0.0 108.913 177.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 5.1 t -113.03 158.05 20.78 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 122.498 0.319 . . . . 0.0 111.009 -177.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -129.96 61.11 1.58 Allowed 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 122.958 0.503 . . . . 0.0 111.595 -172.081 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -132.97 178.23 7.04 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.033 0.444 . . . . 0.0 111.271 177.145 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -82.86 -18.35 40.62 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.244 0.618 . . . . 0.0 109.921 177.156 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 20.1 m -100.89 -21.14 5.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 119.384 -0.341 . . . . 0.0 111.593 179.207 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 4.3 p -140.81 123.5 16.16 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.109 0.413 . . . . 0.0 109.919 172.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -149.61 32.38 0.71 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.299 0.64 . . . . 0.0 110.713 -175.348 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -123.9 179.04 4.98 Favored 'General case' 0 N--CA 1.458 -0.059 0 C-N-CA 123.87 0.868 . . . . 0.0 109.897 -178.301 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -85.1 147.87 26.42 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.147 175.638 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -145.61 173.41 12.08 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.504 0.722 . . . . 0.0 109.916 -176.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 27.7 p -126.12 176.18 7.22 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.558 1.143 . . . . 0.0 108.296 174.593 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -58.85 -31.83 68.88 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 121.82 -0.55 . . . . 0.0 111.721 -172.328 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 19.5 t -72.61 -51.02 21.44 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 122.355 -0.215 . . . . 0.0 111.316 -174.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 460' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 7.7 p -84.18 -17.61 39.4 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 119.676 -0.202 . . . . 0.0 111.451 -177.193 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 49.5 t-105 -63.29 -38.45 91.21 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 171.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -74.96 -26.66 59.76 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.013 177.049 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -69.16 -16.84 63.73 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.817 0.735 . . . . 0.0 111.504 176.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 27.6 mmt85 -115.19 -6.13 12.43 Favored 'General case' 0 C--N 1.34 0.168 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -135.2 11.65 3.55 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -175.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 73.8 p -75.0 -17.7 60.49 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-N 118.376 0.534 . . . . 0.0 110.96 175.547 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 21.9 ptp -83.31 151.0 25.78 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.633 0.773 . . . . 0.0 110.842 -179.683 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -76.4 -4.95 45.09 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -178.063 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -81.32 -21.99 61.45 Favored Glycine 0 C--N 1.338 0.666 0 CA-C-O 119.211 -0.772 . . . . 0.0 112.636 179.381 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 79.1 mt -127.79 15.59 6.93 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 117.911 0.856 . . . . 0.0 111.809 -177.405 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -69.3 -1.4 8.06 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -178.611 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 -88.85 -6.02 57.63 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.171 0.588 . . . . 0.0 112.011 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -74.57 158.78 33.11 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.185 0.517 . . . . 0.0 110.96 178.612 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 61.2 p -141.83 140.12 19.42 Favored Pre-proline 0 N--CA 1.453 -0.287 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 175.526 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -74.79 142.59 28.77 Favored 'Trans proline' 0 N--CA 1.45 -1.079 0 C-N-CA 123.034 2.489 . . . . 0.0 111.795 -175.115 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 10.6 mp . . . . . 0 CA--C 1.529 0.147 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 173.045 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 16.8 tp . . . . . 0 N--CA 1.448 -0.555 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.543 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 38.4 t -63.13 149.51 45.05 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.652 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -101.71 -15.24 17.06 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -172.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 46.0 mm -99.52 -26.76 3.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 CA-C-N 118.329 0.513 . . . . 0.0 110.978 -178.02 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 7.9 p -141.42 -14.53 0.86 Allowed 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -176.069 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 3.9 p 44.97 28.11 0.34 Allowed 'General case' 0 C--N 1.342 0.262 0 C-N-CA 124.211 1.004 . . . . 0.0 113.652 179.002 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 23.0 t -85.94 -21.01 28.12 Favored 'General case' 0 CA--C 1.527 0.064 0 O-C-N 121.773 -0.579 . . . . 0.0 111.189 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . 0.407 ' C ' ' H ' ' A' ' 443' ' ' GLY . 35.0 mm-40 -130.6 163.01 51.4 Favored Pre-proline 0 N--CA 1.453 -0.298 0 C-N-CA 123.575 0.75 . . . . 0.0 109.832 -179.016 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -61.51 15.56 0.05 OUTLIER 'Trans proline' 0 CA--C 1.536 0.59 1 C-N-CA 125.637 4.225 . . . . 0.0 115.237 -178.629 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 441' ' ' GLN . . . 60.48 58.7 12.57 Favored Glycine 0 C--N 1.337 0.626 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 -177.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -70.44 -8.75 24.35 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 123.998 3.132 . . . . 0.0 112.03 -173.774 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -130.17 157.8 41.44 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.295 0.569 . . . . 0.0 111.385 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -146.86 155.71 42.54 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.66 1.184 . . . . 0.0 107.951 176.342 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 6.4 t -127.29 147.38 50.24 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -124.64 71.91 1.18 Allowed 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.2 0.6 . . . . 0.0 110.026 -177.577 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -130.21 178.08 6.84 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.754 179.286 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 10.2 pm0 -86.97 2.27 50.02 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 122.668 0.387 . . . . 0.0 111.54 177.596 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 32.8 m -120.48 -21.36 4.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-N 118.089 0.404 . . . . 0.0 111.496 175.309 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 8.2 p -140.07 136.56 33.76 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.311 0.505 . . . . 0.0 110.335 174.231 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -151.01 35.1 0.59 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.382 -175.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -130.91 176.55 8.14 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 122.993 0.517 . . . . 0.0 110.782 -175.384 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -85.95 149.59 25.09 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.796 178.037 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -147.49 174.33 11.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.771 0.828 . . . . 0.0 109.973 -178.168 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 27.1 p -127.6 177.05 7.04 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.929 1.292 . . . . 0.0 108.167 175.267 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -58.84 -31.44 68.5 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.904 -0.497 . . . . 0.0 111.358 -174.289 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 57.9 m -72.08 -55.18 7.79 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 117.601 0.182 . . . . 0.0 111.472 -176.891 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 460' ' ' CYS . . . . . 0.543 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 13.9 p -81.75 -19.74 40.74 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 -174.89 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -61.41 -45.46 94.22 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 171.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -75.78 -15.06 60.31 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 119.408 -0.33 . . . . 0.0 111.736 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 463' ' ' TRP . . . . . 0.418 ' CD2' ' HA ' ' A' ' 460' ' ' CYS . 53.7 m0 -73.14 -23.07 60.42 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.812 0.733 . . . . 0.0 111.321 175.41 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -121.63 -21.0 6.32 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -179.767 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -100.79 10.79 40.7 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.871 0.759 . . . . 0.0 112.479 -178.192 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 16.8 t -100.34 10.81 40.68 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 122.658 0.383 . . . . 0.0 111.118 178.016 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.4 ptp -115.2 159.89 20.39 Favored 'General case' 0 C--O 1.227 -0.089 0 C-N-CA 123.321 0.648 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -60.55 -18.65 53.83 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.406 0.682 . . . . 0.0 112.378 -174.293 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -82.89 -14.94 74.05 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 119.026 -0.875 . . . . 0.0 113.797 -177.085 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.1 mp -142.11 5.96 1.72 Allowed 'General case' 0 C--N 1.342 0.241 0 CA-C-N 118.798 1.299 . . . . 0.0 113.474 -178.321 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -67.3 -3.35 7.77 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 119.064 0.847 . . . . 0.0 112.59 -177.537 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -97.57 -0.67 45.42 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.973 0.909 . . . . 0.0 111.971 -178.467 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -77.47 167.31 21.86 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 121.054 0.454 . . . . 0.0 110.908 -179.549 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 49.1 m -135.07 146.95 60.54 Favored Pre-proline 0 N--CA 1.455 -0.179 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 177.206 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -69.31 157.66 60.44 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.468 2.779 . . . . 0.0 111.653 -177.261 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 15.2 tp . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.533 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 121.187 0.518 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 23.1 t -53.05 136.24 35.74 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 169.609 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -69.37 -13.02 62.15 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -173.417 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 40.1 mm -123.24 -27.68 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 118.099 0.409 . . . . 0.0 111.431 -176.145 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.475 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 26.9 m -103.56 -22.04 13.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -172.888 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 20.9 p 35.27 51.59 0.61 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.142 1.377 . . . . 0.0 113.975 177.092 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 38.4 t -133.7 -26.51 1.58 Allowed 'General case' 0 CA--C 1.525 -0.019 0 C-N-CA 122.288 0.235 . . . . 0.0 111.523 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -137.2 161.65 59.92 Favored Pre-proline 0 N--CA 1.451 -0.417 0 C-N-CA 123.995 0.918 . . . . 0.0 108.672 -178.329 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -61.78 -7.43 9.29 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 124.078 3.186 . . . . 0.0 113.04 179.255 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 78.07 120.7 0.24 Allowed Glycine 0 CA--C 1.529 0.907 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -176.909 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -75.32 -10.59 20.77 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.461 2.774 . . . . 0.0 111.677 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -136.56 163.68 29.97 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-O 121.392 0.615 . . . . 0.0 111.53 -178.197 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -137.24 151.45 48.73 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.475 1.11 . . . . 0.0 108.409 176.513 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 447' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 14.0 t -123.5 130.84 53.28 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -179.083 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -129.71 89.72 2.87 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.546 0.738 . . . . 0.0 110.173 -173.779 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . 0.41 ' CG ' ' H ' ' A' ' 450' ' ' GLN . 14.6 t70 -136.75 -172.57 3.2 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.041 177.003 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 450' ' ' GLN . . . . . 0.41 ' H ' ' CG ' ' A' ' 449' ' ' ASP . 64.4 tt0 -69.9 -12.31 61.52 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 122.663 0.385 . . . . 0.0 110.259 177.295 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 28.3 m -127.49 -11.88 3.79 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 123.008 0.523 . . . . 0.0 112.052 179.093 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 452' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 96.7 m -111.17 135.99 50.88 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.332 0.515 . . . . 0.0 110.499 178.294 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -157.95 24.54 0.26 Allowed 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 111.537 0.199 . . . . 0.0 111.537 179.611 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -137.89 171.76 13.95 Favored 'General case' 0 C--O 1.228 -0.037 0 O-C-N 121.824 -0.547 . . . . 0.0 111.521 -174.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -81.44 152.09 27.57 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.214 0.606 . . . . 0.0 111.053 178.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -149.63 176.08 10.98 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 123.892 0.877 . . . . 0.0 109.819 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.475 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 23.1 p -131.05 174.24 10.21 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.443 1.097 . . . . 0.0 108.825 175.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -57.79 -37.56 73.94 Favored 'General case' 0 N--CA 1.461 0.081 0 O-C-N 122.088 -0.383 . . . . 0.0 111.976 -172.319 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 74.8 m -66.91 -49.69 64.79 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -176.475 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 460' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 25.3 p -87.57 -15.68 36.73 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -175.554 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -61.4 -41.21 96.77 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 171.827 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -74.96 -29.51 60.94 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.826 177.828 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -69.1 -10.1 55.94 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.624 -0.673 . . . . 0.0 111.177 176.502 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -122.44 -4.82 8.8 Favored 'General case' 0 C--N 1.34 0.169 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 179.218 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -141.29 2.93 1.71 Allowed 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -175.26 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 47.6 t -72.95 -23.88 60.73 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 118.769 0.713 . . . . 0.0 111.482 -178.627 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.88 158.08 18.8 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.964 0.412 . . . . 0.0 110.311 178.826 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.98 -2.01 13.93 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -176.391 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -73.98 -27.94 65.59 Favored Glycine 0 CA--C 1.524 0.632 0 CA-C-O 119.05 -0.861 . . . . 0.0 112.28 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 91.6 mt -137.24 22.13 2.99 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 118.278 1.039 . . . . 0.0 111.542 -178.573 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -68.72 -1.84 7.89 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -177.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 53.9 p-80 -87.52 -3.98 58.99 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.23 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -77.33 156.06 31.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.968 0.349 . . . . 0.0 110.778 178.367 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 65.8 m -137.6 141.63 34.04 Favored Pre-proline 0 N--CA 1.456 -0.162 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 176.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -62.62 142.59 90.3 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 123.065 2.51 . . . . 0.0 113.204 -177.035 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.456 -0.138 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 169.966 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 32.4 tp . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 37.8 t -58.14 143.38 44.14 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.226 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -106.48 2.81 26.57 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -174.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 51.8 mm -109.68 -25.73 3.48 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-N 117.957 0.344 . . . . 0.0 110.38 178.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.473 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 7.8 p -145.3 -20.47 0.48 Allowed 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -177.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 6.8 p 46.25 25.95 0.41 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 65.0 m -95.37 -7.76 37.58 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 122.037 -0.414 . . . . 0.0 111.626 -179.174 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -134.18 160.87 66.85 Favored Pre-proline 0 N--CA 1.454 -0.267 0 C-N-CA 124.178 0.991 . . . . 0.0 108.469 177.045 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -59.35 1.5 0.35 Allowed 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 124.915 3.743 . . . . 0.0 115.354 -173.308 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 66.84 56.85 11.07 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 -177.308 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -72.36 -8.7 23.13 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 124.005 3.136 . . . . 0.0 112.076 -173.567 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -127.47 155.07 44.29 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.046 0.45 . . . . 0.0 111.927 -177.708 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -148.22 151.48 35.56 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.995 0.918 . . . . 0.0 108.81 176.758 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 6.9 t -129.56 156.34 44.33 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.523 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 17.9 ptm180 -114.96 5.23 14.98 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -169.514 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -86.96 159.19 19.09 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 118.427 0.558 . . . . 0.0 111.205 178.85 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -71.31 -4.94 28.74 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.838 0.455 . . . . 0.0 111.865 -175.575 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 35.5 m -106.11 -5.65 10.03 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 C-N-CA 122.821 0.448 . . . . 0.0 111.644 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 6.9 p -153.44 42.51 0.57 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.914 0.486 . . . . 0.0 110.548 178.585 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -71.48 31.0 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.478 1.111 . . . . 0.0 113.171 -177.768 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -128.5 177.62 6.87 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.595 0.758 . . . . 0.0 111.296 -174.367 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -88.44 151.33 22.63 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.724 0.41 . . . . 0.0 110.437 175.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -146.4 172.92 12.78 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.488 0.661 . . . . 0.0 110.763 -177.134 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.505 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 13.6 p -131.03 179.07 6.22 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.216 1.406 . . . . 0.0 107.598 174.165 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -57.91 -34.15 69.52 Favored 'General case' 0 CA--C 1.529 0.136 0 O-C-N 121.631 -0.668 . . . . 0.0 112.029 -171.608 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 69.6 m -71.81 -46.87 56.71 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -175.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 460' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 8.3 p -90.56 -16.69 28.32 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 122.225 0.21 . . . . 0.0 111.561 -175.529 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -67.21 -46.66 73.2 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 173.333 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -72.53 -25.63 61.45 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.21 178.797 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 463' ' ' TRP . . . . . 0.433 ' HB3' ' HA ' ' A' ' 460' ' ' CYS . 72.7 t90 -67.84 -19.2 65.02 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 122.251 -0.281 . . . . 0.0 111.002 176.186 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.1 tpp85 -112.96 -21.31 11.18 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -120.02 1.77 10.92 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -173.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 466' ' ' SER . . . . . 0.442 ' HA ' ' HE ' ' A' ' 471' ' ' ARG . 8.2 t -100.11 7.65 44.46 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.964 0.802 . . . . 0.0 111.975 179.518 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 467' ' ' MET . . . . . 0.408 ' C ' ' H ' ' A' ' 469' ' ' GLY . 23.1 ptp -87.33 17.46 4.4 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 122.986 0.514 . . . . 0.0 111.66 178.813 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 61.66 -8.49 0.09 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.895 1.678 . . . . 0.0 113.97 179.783 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 467' ' ' MET . . . -84.22 -22.81 53.68 Favored Glycine 0 CA--C 1.523 0.568 0 CA-C-O 119.252 -0.749 . . . . 0.0 112.658 -179.027 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 78.5 mt -126.27 22.31 7.19 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 118.057 0.928 . . . . 0.0 111.691 -177.026 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 471' ' ' ARG . . . . . 0.442 ' HE ' ' HA ' ' A' ' 466' ' ' SER . 21.8 mmt85 -67.38 -2.03 5.61 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 121.844 -0.535 . . . . 0.0 112.396 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -89.93 -3.69 57.9 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.006 0.522 . . . . 0.0 111.758 177.839 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 43.1 m170 -79.39 165.23 23.33 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.769 0.427 . . . . 0.0 110.63 177.624 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 40.8 t -141.16 137.63 17.0 Favored Pre-proline 0 N--CA 1.453 -0.29 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 175.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -73.35 141.67 32.29 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 122.996 2.464 . . . . 0.0 111.899 -176.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 N--CA 1.454 -0.233 0 C-N-CA 123.908 0.883 . . . . 0.0 109.062 174.611 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 29.1 tp . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.536 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 38.5 t -55.76 140.77 40.81 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 176.908 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -99.87 -9.8 22.47 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -172.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 38.8 mm -100.08 -25.79 3.81 Favored 'Isoleucine or valine' 0 C--O 1.23 0.057 0 CA-C-N 117.958 0.344 . . . . 0.0 110.887 -178.087 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 12.4 p -144.18 -18.08 0.57 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -176.362 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 7.3 p 43.97 27.18 0.17 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.586 1.154 . . . . 0.0 113.588 178.748 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 68.7 m -96.72 -6.33 36.62 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.866 0.466 . . . . 0.0 112.002 -178.483 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -135.97 159.51 70.84 Favored Pre-proline 0 N--CA 1.454 -0.228 0 C-N-CA 124.32 1.048 . . . . 0.0 108.678 176.26 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -60.87 3.55 0.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 125.085 3.856 . . . . 0.0 115.247 -173.532 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 69.38 58.81 6.21 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.026 -1.229 . . . . 0.0 110.026 -176.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -70.54 -8.88 24.63 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 123.853 3.036 . . . . 0.0 112.246 -174.307 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -133.45 159.29 40.78 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.128 0.49 . . . . 0.0 112.048 -179.19 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -140.25 157.13 46.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.53 1.132 . . . . 0.0 108.207 173.49 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 447' ' ' CYS . . . . . 0.419 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 21.5 t -136.73 133.39 36.02 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -178.728 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -125.82 87.56 2.71 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.684 0.794 . . . . 0.0 109.799 -174.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -136.14 -179.42 5.66 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.201 178.859 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -70.87 -2.72 15.9 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 122.235 -0.291 . . . . 0.0 111.338 176.239 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 17.1 m -134.45 -2.45 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 123.994 0.918 . . . . 0.0 111.465 176.072 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 452' ' ' CYS . . . . . 0.419 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 89.3 m -121.6 135.02 55.01 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 118.264 0.484 . . . . 0.0 110.838 177.574 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 453' ' ' PHE . . . . . 0.425 ' CZ ' ' HE3' ' A' ' 454' ' ' LYS . 39.9 p90 -158.26 25.42 0.25 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.498 0.319 . . . . 0.0 111.069 179.281 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . 0.425 ' HE3' ' CZ ' ' A' ' 453' ' ' PHE . 98.0 mttt -133.37 167.61 20.11 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 122.8 0.44 . . . . 0.0 112.081 -172.144 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -85.91 150.58 24.41 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.623 172.629 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -147.67 172.07 14.64 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.205 0.602 . . . . 0.0 110.713 -177.474 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 457' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 20.8 p -128.0 173.49 10.0 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.96 1.304 . . . . 0.0 107.698 173.451 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 53.4 ptt85 -60.01 -27.04 66.55 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.5 -0.75 . . . . 0.0 112.347 -171.692 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 19.4 t -74.95 -52.57 10.84 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 117.852 0.297 . . . . 0.0 111.006 -175.587 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 460' ' ' CYS . . . . . 0.536 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 14.1 p -82.0 -17.28 47.43 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 122.267 0.227 . . . . 0.0 111.236 -178.734 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -62.69 -42.04 99.43 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 172.332 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -73.11 -24.45 60.63 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.996 178.32 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.0 m0 -72.44 -14.72 61.76 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.616 0.643 . . . . 0.0 111.478 175.594 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -123.77 -4.97 8.09 Favored 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -176.253 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -133.08 6.9 3.94 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -176.504 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 56.0 m -101.1 7.19 43.4 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-N 118.15 0.432 . . . . 0.0 111.147 175.304 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.5 ptp -103.39 158.14 16.55 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.084 0.553 . . . . 0.0 110.16 177.513 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -64.86 -11.33 36.26 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -174.01 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -87.71 -16.34 60.11 Favored Glycine 0 CA--C 1.528 0.858 0 CA-C-O 118.898 -0.946 . . . . 0.0 113.311 -178.043 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 470' ' ' LEU . . . . . 0.405 ' C ' ' H ' ' A' ' 472' ' ' HIS . 4.3 mp -142.16 15.55 2.06 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.681 1.241 . . . . 0.0 112.646 -177.447 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 16.02 0.09 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -177.328 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 472' ' ' HIS . . . . . 0.405 ' H ' ' C ' ' A' ' 470' ' ' LEU . 39.5 p-80 -124.11 4.43 8.58 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.87 0.868 . . . . 0.0 112.077 -174.447 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -82.28 166.21 19.73 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 121.259 0.552 . . . . 0.0 111.311 179.782 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 77.7 p -140.2 152.27 66.74 Favored Pre-proline 0 C--O 1.233 0.222 0 C-N-CA 124.158 0.983 . . . . 0.0 109.25 177.564 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -64.71 148.17 90.11 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 123.392 2.728 . . . . 0.0 111.132 -176.469 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 52.7 tp . . . . . 0 CA--C 1.53 0.18 0 C-N-CA 123.958 0.903 . . . . 0.0 109.166 -177.959 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 18.3 tt . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -80.9 151.35 70.54 Favored Pre-proline 0 N--CA 1.452 -0.346 0 C-N-CA 123.009 0.523 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -72.74 167.93 25.88 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 123.987 3.124 . . . . 0.0 111.562 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -133.78 162.09 32.93 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.563 0.745 . . . . 0.0 110.303 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 39.0 tp -68.47 -11.81 60.32 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.228 0.211 . . . . 0.0 110.929 -178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -87.07 -0.13 56.16 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.806 0.442 . . . . 0.0 111.416 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -137.62 -11.91 1.56 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.698 0.399 . . . . 0.0 111.596 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 87.7 p -111.34 11.43 21.6 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.156 0.582 . . . . 0.0 111.716 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 13.4 tp -67.86 171.28 6.81 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.636 1.175 . . . . 0.0 108.854 174.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 73.4 m -56.39 137.53 52.63 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 171.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -93.57 2.01 56.52 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 15.6 mm -120.61 -35.63 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-O 119.528 -0.272 . . . . 0.0 111.088 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 31.0 p -115.26 -24.47 8.45 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 12.9 p 39.89 33.8 0.15 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.813 1.245 . . . . 0.0 113.216 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 69.9 m -115.92 -3.47 12.15 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.931 0.492 . . . . 0.0 111.769 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -134.76 158.02 75.92 Favored Pre-proline 0 N--CA 1.453 -0.291 0 C-N-CA 123.412 0.685 . . . . 0.0 109.49 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -61.83 -2.17 2.64 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 124.71 3.607 . . . . 0.0 114.52 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 66.51 60.07 6.6 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 109.962 -1.255 . . . . 0.0 109.962 -174.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -72.76 -8.46 22.44 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 124.136 3.224 . . . . 0.0 112.299 -173.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -129.55 163.37 26.12 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.785 0.434 . . . . 0.0 111.059 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -141.26 147.4 38.19 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.23 0.612 . . . . 0.0 109.564 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 17.4 t -111.33 128.43 55.95 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -90.17 -11.88 39.83 Favored 'General case' 0 CA--C 1.527 0.066 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -170.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.7 154.27 40.78 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.95 -0.468 . . . . 0.0 111.023 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -72.71 -9.38 58.57 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.923 0.489 . . . . 0.0 112.142 -173.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 23.3 m -99.0 -4.28 9.46 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 C-N-CA 122.337 0.255 . . . . 0.0 111.222 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 62.9 m -118.13 -67.07 1.02 Allowed 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 20.4 t80 45.57 31.32 0.91 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.633 1.573 . . . . 0.0 114.637 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -141.71 169.82 16.88 Favored 'General case' 0 C--O 1.231 0.12 0 O-C-N 121.909 -0.494 . . . . 0.0 111.443 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -83.09 147.97 27.79 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -149.12 168.66 22.59 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.369 0.604 . . . . 0.0 110.879 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 28.7 p -122.18 -178.26 3.82 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 172.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -59.35 -28.94 67.3 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.528 0.604 . . . . 0.0 111.089 -176.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 71.3 m -76.17 -56.54 4.55 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 122.756 0.423 . . . . 0.0 111.556 -177.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 7.7 p -79.15 -13.94 59.41 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 -175.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -69.31 -43.0 74.67 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 169.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -70.33 -17.22 63.06 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.93 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 54.7 m0 -83.74 -23.87 31.41 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.566 0.621 . . . . 0.0 112.117 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -97.41 -5.19 36.81 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.607 0.639 . . . . 0.0 111.709 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -130.83 21.71 4.99 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 117.756 0.253 . . . . 0.0 111.002 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 37.0 t -65.7 -33.88 76.9 Favored 'General case' 0 C--N 1.338 0.084 0 C-N-CA 123.082 0.553 . . . . 0.0 111.171 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 18.3 ptt? -88.45 159.33 18.03 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.944 0.498 . . . . 0.0 110.988 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -72.13 -14.5 61.85 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.1 0.56 . . . . 0.0 111.465 -175.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -72.96 -18.24 78.97 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 118.968 -0.907 . . . . 0.0 114.034 -174.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 64.7 mt -122.87 19.42 10.14 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-N 118.571 1.185 . . . . 0.0 112.431 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 29.3 mmt85 -72.4 -2.4 19.21 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 122.075 -0.39 . . . . 0.0 111.81 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -87.87 -4.01 58.89 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.964 0.506 . . . . 0.0 111.52 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -75.77 157.73 33.12 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 70.0 m -137.45 137.42 22.18 Favored Pre-proline 0 N--CA 1.455 -0.183 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -75.39 140.59 24.59 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 123.025 2.484 . . . . 0.0 111.03 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 10.6 mp -95.33 149.92 20.82 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 173.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 91.2 mtp -86.39 160.76 18.96 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.818 -0.174 . . . . 0.0 111.149 -177.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -130.62 -10.88 3.98 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.056 0.542 . . . . 0.0 111.164 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -149.98 153.96 37.45 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -144.14 162.52 36.1 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.299 0.64 . . . . 0.0 110.467 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -75.46 151.36 38.07 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 122.724 0.41 . . . . 0.0 110.241 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -69.72 156.01 39.64 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 122.735 0.414 . . . . 0.0 110.196 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -82.13 6.59 15.96 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.221 0.608 . . . . 0.0 111.837 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -142.07 155.29 45.38 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.864 0.866 . . . . 0.0 109.894 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 25.2 m -138.18 10.65 2.79 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.824 0.85 . . . . 0.0 111.018 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 46.0 m . . . . . 0 C--O 1.254 1.299 0 CA-C-O 117.685 -1.15 . . . . 0.0 110.927 -178.934 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 34.9 pt . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 120.867 0.365 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -139.16 155.45 72.56 Favored Pre-proline 0 CA--C 1.532 0.261 0 C-N-CA 123.697 0.799 . . . . 0.0 109.523 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -66.22 -5.42 12.43 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 123.497 2.798 . . . . 0.0 112.476 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -88.65 -9.02 53.58 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 122.568 0.347 . . . . 0.0 111.035 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' A' ' 432' ' ' ASP . 43.4 tp -84.8 150.52 24.99 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.104 0.561 . . . . 0.0 110.18 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -68.82 -14.18 62.87 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -177.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . 0.427 ' H ' ' HG ' ' A' ' 430' ' ' LEU . 38.7 t70 -88.49 -11.28 46.29 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.629 0.372 . . . . 0.0 110.971 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 51.2 m -113.2 -1.63 14.29 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.198 0.599 . . . . 0.0 110.476 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 9.6 tp -68.45 163.13 24.0 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 175.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 37.0 t -56.77 128.4 36.37 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 175.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -82.89 -0.39 48.08 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -174.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 37.1 mm -121.81 -25.02 2.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 118.014 0.37 . . . . 0.0 110.581 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 12.2 m -119.26 -29.38 5.2 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 122.349 0.26 . . . . 0.0 111.286 -174.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 15.0 p 39.65 35.43 0.2 Allowed 'General case' 0 C--N 1.34 0.184 0 C-N-CA 124.692 1.197 . . . . 0.0 113.077 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 72.3 m -123.02 -2.88 8.62 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.339 0.656 . . . . 0.0 111.192 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . 0.402 ' HA ' ' HD3' ' A' ' 442' ' ' PRO . 25.8 mm-40 -134.0 158.04 76.29 Favored Pre-proline 0 N--CA 1.455 -0.178 0 C-N-CA 123.906 0.882 . . . . 0.0 109.321 177.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 441' ' ' GLN . 33.5 Cg_exo -63.82 5.39 0.37 Allowed 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 125.004 3.803 . . . . 0.0 114.504 -176.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 68.51 63.02 3.74 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 -175.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.58 -9.61 26.58 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 123.921 3.081 . . . . 0.0 111.986 -174.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -132.64 157.41 44.88 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 110.964 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -139.23 154.08 47.94 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.131 0.972 . . . . 0.0 108.545 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' CYS . . . . . 0.419 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 29.9 t -131.75 133.18 44.51 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -126.57 82.99 2.12 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.594 0.758 . . . . 0.0 109.923 -173.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -132.73 -179.71 5.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.034 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -73.29 -1.72 19.08 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.305 -0.247 . . . . 0.0 111.318 176.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 33.7 m -134.81 -2.96 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 C-N-CA 123.052 0.541 . . . . 0.0 111.755 174.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' CYS . . . . . 0.419 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 84.1 m -120.95 133.64 55.28 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.189 0.449 . . . . 0.0 110.279 176.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -157.14 27.82 0.3 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.275 0.23 . . . . 0.0 111.225 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -133.79 167.3 20.8 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 122.917 0.487 . . . . 0.0 111.703 -174.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -88.24 150.76 23.09 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.859 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -147.31 170.64 16.89 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.286 0.634 . . . . 0.0 110.578 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 26.4 p -116.02 176.54 5.05 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.805 1.242 . . . . 0.0 108.117 174.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -60.06 -35.37 74.98 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 121.556 -0.715 . . . . 0.0 111.574 -174.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 75.6 m -67.67 -48.61 66.14 Favored 'General case' 0 N--CA 1.458 -0.061 0 C-N-CA 122.251 0.22 . . . . 0.0 111.292 -175.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 24.6 p -88.48 -14.7 37.21 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 111.392 0.145 . . . . 0.0 111.392 -175.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 43.0 t-105 -62.01 -40.42 95.63 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 170.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -75.7 -27.99 58.45 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.769 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 44.9 m0 -70.25 -13.34 62.13 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 118.724 0.693 . . . . 0.0 111.33 176.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -115.99 -13.49 11.26 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 123.116 0.566 . . . . 0.0 112.007 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -134.76 1.37 3.05 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -173.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 26.8 t -80.63 -16.51 53.89 Favored 'General case' 0 CA--C 1.527 0.072 0 CA-C-N 119.224 0.92 . . . . 0.0 109.996 175.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.2 ptp -69.54 156.46 38.86 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.043 0.537 . . . . 0.0 110.217 177.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.38 -4.99 39.76 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -90.13 -29.47 14.88 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-O 118.772 -1.016 . . . . 0.0 113.445 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 66.9 mt -128.45 11.17 6.29 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 118.538 1.169 . . . . 0.0 113.074 -172.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -71.97 7.11 1.73 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -94.06 -2.45 52.88 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.544 0.738 . . . . 0.0 111.532 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 55.3 m170 -75.34 161.2 29.49 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.673 0.389 . . . . 0.0 110.544 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 55.4 m -129.67 146.67 62.16 Favored Pre-proline 0 N--CA 1.456 -0.166 0 C-N-CA 123.169 0.588 . . . . 0.0 109.637 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.7 151.1 69.31 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 123.603 2.869 . . . . 0.0 111.49 -176.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 90.9 mt -138.38 156.21 47.81 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.649 1.18 . . . . 0.0 109.007 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 89.0 mtp -137.47 5.21 2.68 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.679 0.392 . . . . 0.0 111.815 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 61.4 ttp85 55.72 12.78 0.89 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.14 0.976 . . . . 0.0 112.696 -177.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -144.03 162.6 35.81 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.634 0.774 . . . . 0.0 109.734 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -147.58 164.53 33.17 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 122.994 0.517 . . . . 0.0 110.551 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -139.43 166.14 25.37 Favored 'General case' 0 C--O 1.231 0.094 0 C-N-CA 123.488 0.715 . . . . 0.0 110.429 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 54.7 p30 -144.92 -173.61 4.12 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.493 0.717 . . . . 0.0 110.116 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 45.2 tpt85 -68.34 -6.89 26.7 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.014 0.526 . . . . 0.0 111.878 -178.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -105.86 7.06 32.08 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.075 0.55 . . . . 0.0 111.998 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 89.7 p -141.38 167.15 22.86 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.752 0.421 . . . . 0.0 111.231 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.576 -1.202 . . . . 0.0 110.39 -178.533 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 41.1 pt . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 110.704 -0.11 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -71.95 162.88 71.05 Favored Pre-proline 0 CA--C 1.535 0.37 0 C-N-CA 122.775 0.43 . . . . 0.0 110.395 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -58.36 -11.34 10.63 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 123.897 3.065 . . . . 0.0 113.592 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -144.83 130.0 18.58 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.376 0.67 . . . . 0.0 109.623 178.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 56.4 tp -161.28 142.12 11.24 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.251 0.62 . . . . 0.0 109.688 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -144.95 157.71 44.05 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 123.299 0.64 . . . . 0.0 110.08 175.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -79.65 154.89 28.34 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 122.603 0.361 . . . . 0.0 110.534 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 48.1 m -92.94 -9.61 39.39 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -176.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -97.57 177.25 5.57 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 14.3 t -58.08 136.22 57.14 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 169.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -81.31 4.11 21.76 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -174.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 33.6 mm -123.61 -26.62 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 C-N-CA 122.922 0.489 . . . . 0.0 110.274 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 24.5 m -111.51 -27.09 8.74 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 20.8 p 39.95 41.89 0.97 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.556 1.142 . . . . 0.0 113.578 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 66.2 m -131.75 -9.9 3.53 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.134 0.574 . . . . 0.0 112.008 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -153.87 155.23 31.08 Favored Pre-proline 0 N--CA 1.455 -0.218 0 C-N-CA 123.329 0.652 . . . . 0.0 109.509 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -68.71 105.21 1.27 Allowed 'Trans proline' 0 N--CA 1.448 -1.172 0 C-N-CA 122.567 2.178 . . . . 0.0 108.633 173.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -48.97 116.96 3.72 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -178.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -79.13 -8.12 15.29 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 123.919 3.08 . . . . 0.0 111.577 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -130.53 160.27 34.62 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 121.217 0.532 . . . . 0.0 111.947 -176.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -138.36 149.28 45.43 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.593 1.157 . . . . 0.0 108.025 175.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' CYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 21.7 t -120.86 127.77 52.21 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -123.91 88.58 2.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.779 0.832 . . . . 0.0 109.684 -174.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -136.71 -172.9 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.952 0.501 . . . . 0.0 110.876 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -72.38 -10.79 60.24 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.014 -0.429 . . . . 0.0 110.397 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 33.0 m -128.12 -11.64 3.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 122.997 0.519 . . . . 0.0 112.334 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' CYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 81.6 m -110.91 134.04 52.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 118.186 0.448 . . . . 0.0 110.317 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -150.98 18.22 0.77 Allowed 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.58 169.56 16.81 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 118.949 0.795 . . . . 0.0 112.004 -170.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -85.61 149.04 25.62 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.037 0.535 . . . . 0.0 109.985 174.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -147.45 177.49 9.2 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.337 0.655 . . . . 0.0 110.944 -175.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 24.4 p -130.17 175.44 8.91 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.088 1.355 . . . . 0.0 108.2 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -59.67 -33.42 71.54 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 121.816 -0.553 . . . . 0.0 111.586 -173.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 72.9 m -67.8 -50.49 56.58 Favored 'General case' 0 C--O 1.233 0.202 0 O-C-N 122.293 -0.254 . . . . 0.0 111.181 -176.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 19.0 p -86.38 -16.75 36.35 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -175.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -63.02 -39.57 95.14 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 172.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -77.42 -24.7 50.36 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 117.926 0.33 . . . . 0.0 110.97 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 49.4 m0 -69.99 -15.37 63.02 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.865 0.757 . . . . 0.0 111.534 176.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -113.26 -28.36 7.64 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 176.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -110.37 6.28 22.19 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -172.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 40.7 t -79.04 -15.86 57.64 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.677 0.671 . . . . 0.0 110.351 174.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.5 ptp -74.45 150.85 39.74 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 176.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.29 -7.39 52.62 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -175.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -84.69 -19.22 60.26 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.08 -0.845 . . . . 0.0 113.663 -177.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 77.7 mt -125.85 21.54 7.58 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.57 1.185 . . . . 0.0 112.405 -174.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -68.6 -3.56 12.25 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.286 0.493 . . . . 0.0 112.143 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -89.79 -4.15 57.78 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.218 0.607 . . . . 0.0 112.074 -178.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -77.18 152.22 34.9 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.219 0.463 . . . . 0.0 110.422 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 54.6 m -140.6 148.45 53.24 Favored Pre-proline 0 N--CA 1.455 -0.203 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.65 154.71 24.4 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.254 2.636 . . . . 0.0 112.921 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 43.1 tp -137.49 154.99 49.78 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.036 0.934 . . . . 0.0 108.803 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 27.8 ttt -140.91 160.14 40.7 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.953 0.501 . . . . 0.0 110.042 -177.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 21.5 tpp85 -61.09 -17.55 53.2 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.819 0.848 . . . . 0.0 111.851 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -89.08 7.37 35.31 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.114 0.566 . . . . 0.0 111.606 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -133.86 162.7 31.29 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 123.577 0.751 . . . . 0.0 110.937 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -130.75 6.74 4.73 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 123.268 0.627 . . . . 0.0 111.631 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -144.57 158.94 43.54 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.271 0.629 . . . . 0.0 109.354 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -115.21 157.25 23.96 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.308 0.643 . . . . 0.0 110.593 -175.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -92.5 164.19 13.55 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.108 0.563 . . . . 0.0 109.482 174.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 69.5 m -146.01 165.49 28.86 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 122.852 0.461 . . . . 0.0 110.987 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 79.4 p . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.186 179.892 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 37.4 pt . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 120.622 0.248 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -139.19 162.23 53.19 Favored Pre-proline 0 CA--C 1.531 0.232 0 C-N-CA 123.148 0.579 . . . . 0.0 109.976 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -55.05 154.24 22.96 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.512 2.808 . . . . 0.0 112.346 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 55.04 20.01 3.03 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.961 0.904 . . . . 0.0 113.312 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 50.8 tp -146.09 158.23 43.87 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.326 0.651 . . . . 0.0 109.376 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -144.8 158.03 43.94 Favored 'General case' 0 C--O 1.23 0.057 0 C-N-CA 123.085 0.554 . . . . 0.0 110.718 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -157.97 160.57 37.67 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 122.574 0.35 . . . . 0.0 110.219 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 37.6 m -78.43 -8.43 58.48 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 122.886 0.474 . . . . 0.0 111.992 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.7 tp -52.43 153.94 2.74 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.828 0.851 . . . . 0.0 110.869 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 34.0 t -57.75 130.51 46.74 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 173.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -83.31 5.07 24.5 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -174.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 33.0 mm -124.81 -25.74 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 123.11 0.564 . . . . 0.0 110.44 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 24.3 m -118.83 -27.48 5.8 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.657 0.383 . . . . 0.0 111.922 -172.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 16.3 p 40.5 36.54 0.37 Allowed 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.023 1.329 . . . . 0.0 114.466 176.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 74.2 m -121.81 -0.75 9.54 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 123.117 0.567 . . . . 0.0 111.735 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -146.82 154.58 47.65 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 124.491 1.117 . . . . 0.0 109.224 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -69.85 18.93 0.19 Allowed 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 124.723 3.616 . . . . 0.0 113.525 -177.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 68.04 84.35 0.12 Allowed Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -71.32 -11.06 28.15 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 123.345 2.697 . . . . 0.0 111.149 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -139.69 160.44 39.87 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.322 0.582 . . . . 0.0 111.629 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -140.99 156.78 45.98 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.379 1.071 . . . . 0.0 108.224 173.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' CYS . . . . . 0.476 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 15.4 t -135.61 137.85 42.34 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -128.34 10.46 6.26 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -169.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.07 -179.91 2.09 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.163 0.506 . . . . 0.0 111.993 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -61.2 -13.88 21.4 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -172.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 29.9 m -124.95 0.48 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 118.59 0.632 . . . . 0.0 111.794 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' CYS . . . . . 0.476 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 80.9 m -117.7 134.29 55.06 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.778 0.431 . . . . 0.0 110.776 -178.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -150.79 20.71 0.8 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 122.974 0.509 . . . . 0.0 111.239 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -132.74 165.51 24.37 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 122.764 0.426 . . . . 0.0 111.79 -170.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -84.14 148.29 26.86 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -145.24 174.71 10.85 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.226 0.536 . . . . 0.0 110.768 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 26.5 p -129.42 177.07 7.46 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.984 1.314 . . . . 0.0 108.496 175.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -59.58 -30.8 68.91 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.916 -0.49 . . . . 0.0 111.5 -176.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 75.7 m -69.74 -58.76 3.51 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.385 0.274 . . . . 0.0 111.35 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 12.3 p -77.19 -21.59 53.72 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -174.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 23.8 t-105 -60.01 -48.19 82.74 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 172.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -77.6 -6.49 53.91 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.9 m0 -81.37 -19.31 42.95 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 118.706 -0.664 . . . . 0.0 112.086 175.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 26.0 ttp180 -128.91 -17.55 3.94 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 175.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -91.27 9.04 33.01 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.012 0.823 . . . . 0.0 111.227 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 65.6 p -85.98 -16.87 36.97 Favored 'General case' 0 C--N 1.338 0.098 0 C-N-CA 122.99 0.516 . . . . 0.0 111.802 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.6 ptp -94.26 159.52 15.09 Favored 'General case' 0 C--O 1.23 0.06 0 C-N-CA 122.892 0.477 . . . . 0.0 110.669 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -73.22 -5.88 42.23 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -174.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -79.81 -13.88 81.69 Favored Glycine 0 CA--C 1.526 0.761 0 CA-C-O 119.745 -0.475 . . . . 0.0 111.951 177.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.4 mp -137.0 11.8 3.09 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.434 0.694 . . . . 0.0 112.433 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -69.92 -4.8 22.15 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 121.51 -0.744 . . . . 0.0 112.802 -176.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -100.69 2.33 41.37 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.913 0.885 . . . . 0.0 112.065 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -75.95 161.71 28.7 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 122.617 0.367 . . . . 0.0 111.275 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 71.0 m -134.06 143.54 47.7 Favored Pre-proline 0 CA--C 1.528 0.111 0 C-N-CA 123.677 0.791 . . . . 0.0 109.186 176.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -75.13 145.57 31.16 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.216 2.611 . . . . 0.0 112.024 -176.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -118.76 165.41 14.04 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.491 1.116 . . . . 0.0 108.391 173.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -146.76 161.87 39.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.804 0.441 . . . . 0.0 110.736 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 71.3 ttt-85 -149.28 156.04 41.49 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 123.563 0.745 . . . . 0.0 109.26 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -65.33 152.8 42.91 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -119.86 2.26 11.04 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.994 0.518 . . . . 0.0 111.429 -177.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -86.64 -5.97 58.99 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 122.714 0.406 . . . . 0.0 111.413 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -151.37 152.84 33.67 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.817 0.447 . . . . 0.0 109.919 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -145.7 11.08 1.24 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.382 0.673 . . . . 0.0 111.609 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -144.35 161.18 39.62 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.787 0.435 . . . . 0.0 110.901 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 46.7 m -71.06 158.49 36.39 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 122.947 0.499 . . . . 0.0 111.212 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 32.0 t . . . . . 0 C--O 1.251 1.172 0 CA-C-O 117.457 -1.258 . . . . 0.0 110.283 -179.731 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 8.0 tp . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 110.663 -0.125 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -76.43 151.23 83.05 Favored Pre-proline 0 CA--C 1.531 0.234 0 C-N-CA 122.925 0.49 . . . . 0.0 110.46 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -73.02 162.94 39.68 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.833 3.022 . . . . 0.0 111.06 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -146.08 153.13 40.37 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.26 0.624 . . . . 0.0 110.115 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 97.3 mt -140.1 160.23 40.41 Favored 'General case' 0 N--CA 1.458 -0.068 0 C-N-CA 123.669 0.788 . . . . 0.0 110.022 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -146.89 173.67 12.2 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.305 0.642 . . . . 0.0 110.495 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -134.35 156.63 48.15 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 123.463 0.705 . . . . 0.0 110.211 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 80.2 p -144.42 23.28 1.64 Allowed 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.008 0.523 . . . . 0.0 112.049 -176.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 9.6 tp -62.3 149.29 42.5 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 121.947 -0.47 . . . . 0.0 110.308 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 36.5 m -56.88 151.52 14.39 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.981 0.419 . . . . 0.0 110.738 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -86.03 -19.67 29.96 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -175.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 38.6 mm -118.8 -41.88 2.4 Favored 'Isoleucine or valine' 0 C--N 1.342 0.27 0 CA-C-N 118.373 0.533 . . . . 0.0 111.51 -177.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.5 p -95.97 -29.37 14.19 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 5.5 p 40.49 26.95 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.321 1.448 . . . . 0.0 113.845 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 64.4 m -89.0 -11.07 45.31 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.648 0.379 . . . . 0.0 111.61 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -155.51 159.91 31.28 Favored Pre-proline 0 N--CA 1.454 -0.273 0 C-N-CA 122.665 0.386 . . . . 0.0 110.284 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -69.37 105.19 1.38 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 122.442 2.095 . . . . 0.0 107.156 169.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -55.16 125.39 35.8 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 -174.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -75.97 -8.59 19.04 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.906 3.071 . . . . 0.0 111.694 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -122.77 159.16 28.62 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 121.197 0.522 . . . . 0.0 111.733 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -145.12 159.78 42.45 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.386 1.074 . . . . 0.0 108.179 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 16.0 t -130.96 146.2 52.28 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.748 0.419 . . . . 0.0 109.876 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -97.22 -2.21 43.28 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -172.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -80.92 158.87 25.12 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.321 0.509 . . . . 0.0 111.277 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -76.13 -6.78 52.79 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -174.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 34.6 m -102.1 -11.3 8.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 122.601 0.36 . . . . 0.0 111.506 -176.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 11.8 p -148.89 43.04 0.97 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.043 0.537 . . . . 0.0 110.484 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -73.84 43.02 0.15 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.909 0.883 . . . . 0.0 112.002 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -134.95 176.66 8.46 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 124.513 1.125 . . . . 0.0 110.061 -177.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -86.71 153.14 21.95 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 120.861 0.362 . . . . 0.0 110.74 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -149.13 167.71 25.19 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.299 0.64 . . . . 0.0 110.993 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 29.2 p -123.69 179.92 4.61 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.389 1.475 . . . . 0.0 107.738 173.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -58.81 -27.03 64.67 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.56 -0.712 . . . . 0.0 111.386 -176.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 70.9 m -75.63 -61.65 1.85 Allowed 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.396 0.278 . . . . 0.0 110.67 -177.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 7.1 p -74.56 -22.72 58.85 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 -174.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -64.54 -47.04 80.28 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 173.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -76.82 -4.9 45.99 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 117.887 0.312 . . . . 0.0 111.739 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 54.2 m0 -88.43 -15.23 35.99 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.347 0.522 . . . . 0.0 111.943 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -122.23 -24.77 5.0 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 176.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -94.54 14.26 21.42 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.519 0.6 . . . . 0.0 112.191 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 65.2 p -92.69 -13.44 29.4 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 123.423 0.689 . . . . 0.0 112.057 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.5 ptp -96.44 153.67 17.7 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 122.909 0.484 . . . . 0.0 110.88 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -60.2 -16.48 33.56 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -173.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -81.85 -5.68 89.6 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-O 119.217 -0.768 . . . . 0.0 112.704 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.3 mp -139.55 2.61 2.04 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.493 1.147 . . . . 0.0 113.655 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -73.89 0.13 14.29 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 119.36 0.982 . . . . 0.0 112.286 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 57.3 p-80 -100.76 4.86 43.36 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.316 0.646 . . . . 0.0 111.846 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -82.19 169.28 16.78 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.001 0.52 . . . . 0.0 111.292 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 62.6 m -135.85 144.83 50.29 Favored Pre-proline 0 C--O 1.232 0.164 0 C-N-CA 123.912 0.885 . . . . 0.0 108.985 176.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -72.45 161.19 44.93 Favored 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 123.529 2.819 . . . . 0.0 111.459 -177.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 15.4 tp -142.95 155.45 44.7 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.131 0.972 . . . . 0.0 108.542 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -144.32 166.02 26.25 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.892 0.377 . . . . 0.0 111.293 -177.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 57.6 mmm-85 -103.97 15.1 29.34 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.296 1.038 . . . . 0.0 111.711 -176.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -136.82 163.86 29.64 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.188 0.595 . . . . 0.0 110.278 -178.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -87.08 166.59 14.9 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.951 0.5 . . . . 0.0 110.977 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -73.4 162.05 29.74 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 122.71 0.404 . . . . 0.0 110.393 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -72.34 159.17 34.46 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 122.527 0.331 . . . . 0.0 110.409 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -136.98 161.56 35.71 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 123.246 0.618 . . . . 0.0 110.679 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -138.87 165.06 28.04 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 123.313 0.645 . . . . 0.0 110.419 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 37.5 m -84.7 2.42 41.95 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 122.964 0.506 . . . . 0.0 111.715 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 35.1 t . . . . . 0 C--O 1.252 1.189 0 CA-C-O 117.431 -1.271 . . . . 0.0 110.169 179.772 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 18.9 tt . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 110.526 -0.176 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -141.49 161.58 51.69 Favored Pre-proline 0 CA--C 1.531 0.244 0 C-N-CA 123.534 0.734 . . . . 0.0 110.021 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -58.81 162.99 11.94 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.937 3.092 . . . . 0.0 112.959 178.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -130.17 12.42 5.58 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.509 0.723 . . . . 0.0 110.929 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.34 -178.77 6.41 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.658 0.783 . . . . 0.0 110.804 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -128.57 11.06 6.21 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.239 0.616 . . . . 0.0 112.129 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -141.53 160.54 39.93 Favored 'General case' 0 C--N 1.339 0.114 0 C-N-CA 122.933 0.493 . . . . 0.0 110.216 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.5 m 55.36 23.18 5.47 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 123.681 0.792 . . . . 0.0 112.465 -174.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 16.5 tp -67.9 155.28 39.75 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.33 1.052 . . . . 0.0 110.369 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 48.3 t -58.58 144.71 41.94 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -93.47 -16.63 24.31 Favored 'General case' 0 N--CA 1.458 -0.07 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -171.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 35.5 mm -109.8 -19.22 7.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 CA-C-N 118.552 0.615 . . . . 0.0 111.37 -176.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 27.9 p -134.46 -25.52 1.5 Allowed 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 5.5 p 45.87 21.56 0.1 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.863 1.265 . . . . 0.0 113.316 -176.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 66.0 m -91.63 -6.49 52.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.252 0.621 . . . . 0.0 110.916 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -135.23 156.52 78.03 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 124.324 1.049 . . . . 0.0 109.217 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -79.58 19.99 0.91 Allowed 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 125.218 3.945 . . . . 0.0 113.178 -169.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 61.97 63.26 4.91 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 177.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -67.22 -10.17 27.68 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 123.937 3.091 . . . . 0.0 112.116 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -133.75 163.34 29.68 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.949 0.404 . . . . 0.0 111.369 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -146.2 151.95 38.44 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.249 1.019 . . . . 0.0 108.48 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 9.6 t -125.61 135.74 52.51 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -111.77 75.43 0.92 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.37 0.668 . . . . 0.0 111.242 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -132.74 -176.27 4.05 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.563 0.345 . . . . 0.0 111.29 176.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -93.05 -2.82 55.25 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.165 0.586 . . . . 0.0 111.325 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 17.8 m -115.71 -22.55 4.55 Favored 'Isoleucine or valine' 0 C--N 1.34 0.165 0 C-N-CA 122.735 0.414 . . . . 0.0 111.089 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 4.3 p -137.22 131.14 32.01 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 172.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -147.93 23.86 1.07 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.896 0.479 . . . . 0.0 111.733 -171.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -132.45 178.36 6.89 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.077 0.551 . . . . 0.0 110.755 -174.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -82.2 148.79 28.25 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.801 0.44 . . . . 0.0 110.754 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -149.9 161.38 42.4 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.529 0.731 . . . . 0.0 110.237 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 24.7 p -100.29 173.65 6.5 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 170.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.68 -24.72 66.94 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 121.706 -0.621 . . . . 0.0 111.701 -177.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 7.6 t -69.97 -46.74 64.58 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 109.618 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 37.4 m -82.97 -24.1 33.1 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.842 -173.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -63.21 -40.74 98.34 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -72.35 -28.87 63.31 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.191 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 53.0 m0 -72.85 -7.61 51.66 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.394 0.543 . . . . 0.0 111.516 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 88.3 mmt-85 -124.96 0.59 7.97 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -139.85 9.33 2.37 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 69.5 m -77.01 -9.94 59.04 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 119.052 0.842 . . . . 0.0 111.076 175.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.8 ptp -81.81 150.61 27.78 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 177.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -72.46 -11.94 60.89 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.362 0.265 . . . . 0.0 111.607 -176.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -82.74 -16.0 71.66 Favored Glycine 0 CA--C 1.527 0.826 0 CA-C-O 118.846 -0.974 . . . . 0.0 113.678 -176.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 68.1 mt -123.22 19.46 9.85 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 118.545 1.173 . . . . 0.0 112.518 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -72.05 0.89 8.34 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.972 -0.455 . . . . 0.0 111.892 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -93.39 -4.91 50.58 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.317 0.647 . . . . 0.0 111.915 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -74.04 159.0 33.28 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.935 0.397 . . . . 0.0 110.844 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 69.0 m -139.41 149.06 59.01 Favored Pre-proline 0 N--CA 1.455 -0.223 0 C-N-CA 123.362 0.665 . . . . 0.0 109.444 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -68.78 156.49 65.28 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 123.572 2.848 . . . . 0.0 111.097 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 24.7 tp -145.91 155.03 42.59 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 73.9 mtm -143.76 156.93 44.67 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-O 120.951 0.405 . . . . 0.0 110.786 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 80.1 mtt85 -144.48 172.54 12.82 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.228 1.011 . . . . 0.0 109.633 178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -141.86 161.45 37.93 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -137.39 165.21 26.76 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 123.908 0.883 . . . . 0.0 109.786 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -80.74 16.87 1.27 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.571 0.748 . . . . 0.0 111.804 -176.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 52.0 p30 -132.62 11.45 4.42 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.128 0.571 . . . . 0.0 112.093 -178.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -96.39 1.62 51.92 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 122.672 0.389 . . . . 0.0 111.713 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -139.96 12.94 2.45 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.389 0.676 . . . . 0.0 111.446 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 80.7 p -144.02 168.14 20.71 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.36 0.664 . . . . 0.0 110.839 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--O 1.251 1.141 0 CA-C-O 117.261 -1.352 . . . . 0.0 110.288 -179.55 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 19.9 tt . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -141.19 153.57 66.73 Favored Pre-proline 0 C--O 1.233 0.234 0 C-N-CA 123.039 0.536 . . . . 0.0 110.002 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -74.23 -4.31 15.21 Favored 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 123.955 3.103 . . . . 0.0 111.709 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 33.9 t80 55.7 20.0 3.71 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.127 0.971 . . . . 0.0 112.743 -178.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 93.5 mt -139.47 164.56 29.54 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 124.08 0.952 . . . . 0.0 110.058 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -146.53 163.2 36.52 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.67 0.788 . . . . 0.0 110.086 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -76.33 -1.48 26.98 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -176.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 22.3 m -93.59 20.61 7.17 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 123.273 0.629 . . . . 0.0 110.963 177.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 14.4 tp -57.77 147.57 27.68 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.115 0.966 . . . . 0.0 110.03 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 54.1 t -57.29 139.59 52.39 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -87.08 -10.38 53.06 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -171.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 40.9 mm -116.39 -21.7 4.93 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-N 118.25 0.477 . . . . 0.0 111.875 -175.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 31.9 p -133.47 -21.03 2.04 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 118.305 0.502 . . . . 0.0 112.25 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 6.2 p 42.57 28.15 0.11 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.888 1.275 . . . . 0.0 113.689 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 59.0 m -87.99 -8.81 55.11 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 122.99 0.516 . . . . 0.0 111.911 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -157.26 157.2 30.22 Favored Pre-proline 0 N--CA 1.454 -0.244 0 C-N-CA 122.99 0.516 . . . . 0.0 109.842 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -66.01 106.73 1.01 Allowed 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 122.636 2.224 . . . . 0.0 107.684 171.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -51.39 116.11 4.36 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 123.556 0.598 . . . . 0.0 111.749 -175.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -77.09 -8.03 17.48 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 123.763 2.975 . . . . 0.0 111.617 177.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -123.6 157.42 33.76 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.177 0.513 . . . . 0.0 112.196 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -145.27 160.12 41.97 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.798 1.239 . . . . 0.0 108.968 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 8.8 t -134.43 154.51 51.35 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -103.82 -15.31 15.74 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -169.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.33 153.5 33.76 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.901 0.773 . . . . 0.0 110.788 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -71.78 -5.18 32.23 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 32.8 m -94.06 -11.87 8.88 Favored 'Isoleucine or valine' 0 C--N 1.341 0.204 0 CA-C-O 119.538 -0.268 . . . . 0.0 111.346 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 9.2 p -150.66 40.89 0.76 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 122.939 0.496 . . . . 0.0 110.73 178.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -74.84 52.51 0.54 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.772 0.829 . . . . 0.0 111.826 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -141.96 172.88 12.08 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 124.556 1.142 . . . . 0.0 109.929 -177.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -86.33 151.56 23.48 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.722 0.296 . . . . 0.0 110.427 177.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -147.9 167.71 24.13 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.4 0.619 . . . . 0.0 111.062 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 22.1 p -111.95 174.97 5.62 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.752 1.221 . . . . 0.0 108.71 172.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -60.01 -25.67 65.48 Favored 'General case' 0 C--O 1.232 0.179 0 O-C-N 122.0 -0.437 . . . . 0.0 111.66 -175.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 10.8 t -71.66 -52.21 19.08 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.119 0.485 . . . . 0.0 109.855 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 37.1 m -77.39 -23.12 50.75 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.659 -173.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -69.39 -50.92 41.55 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -75.96 -8.74 57.65 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.745 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -82.15 -21.67 36.47 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.991 0.516 . . . . 0.0 111.319 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 51.5 ttt85 -120.34 -17.43 8.21 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -107.65 6.27 27.64 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 23.3 t -95.11 -5.42 44.25 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-N 118.125 0.42 . . . . 0.0 111.415 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 23.8 ptp -80.15 155.99 27.19 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 122.192 -0.317 . . . . 0.0 110.598 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -78.44 71.21 4.89 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.915 0.486 . . . . 0.0 110.366 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -174.92 -25.98 0.03 OUTLIER Glycine 0 CA--C 1.529 0.912 0 CA-C-O 119.241 -0.755 . . . . 0.0 112.873 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 52.6 mt -117.2 23.2 12.0 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.168 0.984 . . . . 0.0 111.438 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -69.86 -3.49 16.03 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 123.533 0.733 . . . . 0.0 111.862 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -93.87 -2.55 53.25 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.418 0.687 . . . . 0.0 112.199 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 52.8 m170 -80.44 156.85 26.42 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 118.208 0.458 . . . . 0.0 110.348 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 64.3 m -140.69 150.8 61.35 Favored Pre-proline 0 N--CA 1.455 -0.178 0 C-N-CA 123.39 0.676 . . . . 0.0 109.186 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.76 148.98 52.56 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.6 2.867 . . . . 0.0 112.896 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 95.7 mt -141.36 165.24 28.05 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.262 1.025 . . . . 0.0 109.255 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 27.4 ttt -140.0 133.02 29.45 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -156.99 157.18 34.24 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 123.251 0.621 . . . . 0.0 109.62 -178.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 66.6 t30 55.5 21.53 4.45 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.645 0.778 . . . . 0.0 112.554 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -141.02 164.19 30.94 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.812 0.845 . . . . 0.0 110.502 -177.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -146.39 -179.11 6.52 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.161 0.984 . . . . 0.0 109.757 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -67.04 147.11 53.61 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -142.07 161.62 37.53 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.576 0.751 . . . . 0.0 110.155 -178.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -146.78 164.15 33.72 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.487 0.715 . . . . 0.0 110.336 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 28.0 t -150.53 160.97 43.41 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.021 0.529 . . . . 0.0 110.298 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 117.34 -1.314 . . . . 0.0 110.119 -179.377 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 64.7 mt . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -149.64 162.71 27.57 Favored Pre-proline 0 C--O 1.233 0.225 0 C-N-CA 123.001 0.52 . . . . 0.0 109.97 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -61.78 -7.68 9.82 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 124.284 3.323 . . . . 0.0 114.342 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 33.8 t80 56.39 17.32 2.85 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.854 0.862 . . . . 0.0 112.523 -177.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 96.5 mt -139.04 159.46 42.09 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.543 1.137 . . . . 0.0 109.858 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -141.46 161.7 37.28 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.179 0.592 . . . . 0.0 109.86 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -77.83 -17.92 56.89 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.464 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 26.0 m -95.09 -7.24 40.03 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.653 0.381 . . . . 0.0 111.682 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 30.7 tp -67.68 150.47 48.68 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 53.4 t -55.71 133.34 50.73 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -88.42 -2.29 58.51 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -173.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 31.9 mm -117.83 -20.76 5.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 118.682 0.674 . . . . 0.0 111.296 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.0 p -137.39 -25.43 1.03 Allowed 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 6.2 p 46.22 26.27 0.43 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.294 1.038 . . . . 0.0 113.262 -178.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 67.2 m -85.97 -11.23 53.58 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -150.88 159.81 33.31 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-O 119.195 -0.431 . . . . 0.0 109.866 176.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -57.56 5.53 0.07 OUTLIER 'Trans proline' 0 CA--C 1.537 0.632 1 C-N-CA 126.11 4.54 . . . . 0.0 116.673 -171.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 65.61 72.97 0.65 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -72.57 -8.5 22.64 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.968 3.112 . . . . 0.0 111.846 -176.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -125.05 157.48 36.15 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.168 0.509 . . . . 0.0 111.515 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -142.28 145.16 33.71 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.611 0.764 . . . . 0.0 109.92 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 17.1 t -121.61 122.69 40.2 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -92.72 -11.85 32.91 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -170.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.3 153.66 37.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.11 -0.369 . . . . 0.0 111.326 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -71.24 -3.16 18.81 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 -173.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 34.1 m -106.24 -5.96 10.1 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 CA-C-N 117.969 0.35 . . . . 0.0 111.102 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 65.5 m -116.84 -65.72 1.16 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 17.9 t80 46.28 27.27 0.55 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.847 1.659 . . . . 0.0 114.454 175.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -142.4 167.01 23.11 Favored 'General case' 0 C--N 1.338 0.108 0 C-N-CA 123.25 0.62 . . . . 0.0 111.212 -177.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -89.09 150.52 22.7 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.264 0.625 . . . . 0.0 110.013 177.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -149.64 165.88 30.97 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.272 0.558 . . . . 0.0 111.106 -177.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 22.6 p -102.95 176.12 5.25 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 170.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 41.9 ptt180 -61.31 -28.18 69.01 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.706 -0.621 . . . . 0.0 111.356 -177.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 7.8 t -69.94 -48.97 56.35 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.409 0.623 . . . . 0.0 109.98 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 56.2 m -80.82 -22.97 39.51 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.905 -172.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -64.32 -40.68 96.4 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 173.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -74.29 -21.57 59.67 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.789 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 52.4 m0 -78.78 -9.0 59.3 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.448 0.567 . . . . 0.0 111.55 176.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -123.39 2.83 9.1 Favored 'General case' 0 C--N 1.338 0.099 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -139.72 14.67 2.51 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 54.6 p -75.74 -26.06 57.1 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 118.49 0.587 . . . . 0.0 111.303 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -73.56 150.68 41.3 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 30.2 mp0 -71.74 -8.66 55.56 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.295 0.238 . . . . 0.0 111.417 -177.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -80.14 -21.72 64.66 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 118.735 -1.036 . . . . 0.0 113.558 -176.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 52.3 mt -121.22 15.58 11.44 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.738 1.269 . . . . 0.0 112.68 -174.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -73.95 2.28 8.98 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.599 0.636 . . . . 0.0 112.077 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -90.22 -4.67 57.07 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.964 0.506 . . . . 0.0 111.651 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -75.03 157.66 34.48 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 122.715 0.406 . . . . 0.0 110.214 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 61.5 m -134.6 135.45 23.62 Favored Pre-proline 0 N--CA 1.456 -0.144 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 176.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -76.43 149.74 31.39 Favored 'Trans proline' 0 N--CA 1.45 -1.064 0 C-N-CA 123.198 2.599 . . . . 0.0 111.716 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 6.8 mp -112.73 149.41 33.0 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 172.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 15.0 tpt -79.42 147.87 32.17 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-O 120.718 0.294 . . . . 0.0 110.871 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -147.28 139.24 24.31 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.121 0.568 . . . . 0.0 109.815 178.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -155.59 166.31 33.91 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -118.33 8.19 12.16 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.498 0.719 . . . . 0.0 111.146 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -137.28 165.47 26.09 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.61 0.764 . . . . 0.0 110.247 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -145.62 164.43 31.73 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 123.253 0.621 . . . . 0.0 110.531 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -80.96 161.1 24.44 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 122.917 0.487 . . . . 0.0 110.382 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -150.05 155.12 39.31 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.225 0.61 . . . . 0.0 109.957 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 67.6 m -142.77 159.9 41.34 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 123.13 0.572 . . . . 0.0 110.785 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--O 1.253 1.242 0 CA-C-O 117.52 -1.228 . . . . 0.0 110.11 -179.212 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 42.5 pt . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 110.544 -0.169 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -147.77 137.29 12.06 Favored Pre-proline 0 CA--C 1.53 0.211 0 C-N-CA 122.788 0.435 . . . . 0.0 109.853 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.8 -5.97 17.49 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 124.152 3.234 . . . . 0.0 113.312 -174.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -105.42 -2.28 23.98 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.306 0.503 . . . . 0.0 111.127 177.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 95.8 mt -124.37 -5.94 7.68 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.143 0.577 . . . . 0.0 111.423 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -149.74 149.2 30.2 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 122.951 0.501 . . . . 0.0 109.949 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -151.14 154.48 37.01 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.974 0.51 . . . . 0.0 110.268 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 36.9 m -144.93 4.23 1.1 Allowed 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 123.05 0.54 . . . . 0.0 111.803 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 31.5 tp -69.52 152.46 44.8 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.296 0.638 . . . . 0.0 109.608 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 44.1 t -58.66 137.67 57.43 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -100.2 2.86 43.29 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -171.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 33.6 mm -112.98 -23.25 4.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 118.328 0.513 . . . . 0.0 110.598 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 7.8 p -144.73 -17.39 0.53 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -176.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 8.3 p 43.78 31.01 0.43 Allowed 'General case' 0 C--N 1.343 0.322 0 C-N-CA 124.428 1.091 . . . . 0.0 113.803 176.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 13.0 t -86.85 -17.61 32.94 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.877 0.37 . . . . 0.0 111.225 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -149.99 157.09 38.04 Favored Pre-proline 0 N--CA 1.455 -0.208 0 C-N-CA 123.895 0.878 . . . . 0.0 109.195 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -67.71 28.93 0.13 Allowed 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 125.291 3.994 . . . . 0.0 114.713 -171.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 59.12 80.82 0.08 OUTLIER Glycine 0 CA--C 1.527 0.809 0 C-N-CA 123.722 0.677 . . . . 0.0 112.29 173.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -71.69 -9.17 24.52 Favored 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 123.562 2.841 . . . . 0.0 111.47 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -134.51 162.35 32.5 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.353 0.596 . . . . 0.0 111.85 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -140.51 156.14 46.43 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.657 1.183 . . . . 0.0 108.02 175.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 23.3 t -131.61 133.3 44.82 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -178.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -126.67 87.26 2.63 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.541 0.737 . . . . 0.0 109.964 -172.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -137.84 -177.15 4.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.302 177.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -70.68 -9.33 56.88 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 122.074 -0.391 . . . . 0.0 110.996 177.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 18.6 m -129.5 -12.71 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 C-N-CA 122.991 0.516 . . . . 0.0 111.594 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 87.1 m -111.73 128.9 56.23 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -156.45 28.79 0.34 Allowed 'General case' 0 C--O 1.232 0.133 0 C-N-CA 122.388 0.275 . . . . 0.0 111.269 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -130.67 170.17 14.66 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.155 0.582 . . . . 0.0 110.996 -176.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -85.09 149.86 25.26 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -146.21 170.88 15.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.462 0.649 . . . . 0.0 110.413 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 22.6 p -123.69 174.26 7.59 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.895 1.278 . . . . 0.0 107.797 172.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -61.55 -29.02 69.75 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.525 -0.735 . . . . 0.0 111.752 -172.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 22.7 t -73.32 -50.49 21.83 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.456 0.17 . . . . 0.0 111.149 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 18.3 p -82.59 -14.97 53.89 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 122.21 -0.306 . . . . 0.0 111.246 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 37.9 t-105 -62.02 -39.67 93.05 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 171.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -74.43 -27.69 60.72 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 119.407 -0.33 . . . . 0.0 110.75 177.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.9 m0 -68.18 -16.06 63.83 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.833 0.742 . . . . 0.0 111.7 176.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 18.6 tpp85 -112.81 -20.09 11.75 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 122.915 0.486 . . . . 0.0 111.873 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -126.66 5.62 6.76 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -172.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 36.3 t -74.46 -16.35 60.86 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.048 0.84 . . . . 0.0 109.818 174.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.9 ptp -77.07 152.53 35.02 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.935 0.494 . . . . 0.0 109.96 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -79.9 -10.31 59.76 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -178.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -75.88 -20.7 77.64 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-O 119.374 -0.681 . . . . 0.0 112.772 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 79.2 mt -125.04 23.85 7.67 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 117.799 0.799 . . . . 0.0 110.921 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -68.09 -2.16 7.31 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.19 0.596 . . . . 0.0 112.095 -177.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -95.75 -1.24 50.21 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.902 0.881 . . . . 0.0 112.256 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -77.53 157.65 30.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 118.294 0.497 . . . . 0.0 110.391 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 49.8 m -137.46 148.17 60.66 Favored Pre-proline 0 C--O 1.234 0.24 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -68.82 150.79 74.08 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 123.539 2.826 . . . . 0.0 111.497 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 88.8 mt -137.74 160.15 40.03 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.435 1.094 . . . . 0.0 108.902 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 91.6 mtp -141.02 163.67 32.35 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.93 0.492 . . . . 0.0 110.671 -177.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 93.8 mtm-85 -82.78 -1.0 50.39 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.593 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -148.69 151.48 34.99 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.263 0.625 . . . . 0.0 110.035 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -152.65 166.59 31.64 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 123.089 0.556 . . . . 0.0 110.812 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -74.88 151.31 38.97 Favored 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -141.8 154.79 45.46 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.341 0.657 . . . . 0.0 109.45 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -124.49 7.89 8.33 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -175.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -76.78 153.77 34.64 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.899 -0.5 . . . . 0.0 110.689 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 69.4 m -142.58 163.39 32.95 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 123.153 0.581 . . . . 0.0 110.606 -178.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 56.0 m . . . . . 0 C--O 1.251 1.134 0 CA-C-O 117.249 -1.358 . . . . 0.0 110.427 -179.349 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 36.1 pt . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 110.77 -0.085 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -141.44 153.12 65.4 Favored Pre-proline 0 CA--C 1.531 0.231 0 C-N-CA 123.308 0.643 . . . . 0.0 110.089 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -75.0 -5.1 16.37 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 124.005 3.137 . . . . 0.0 112.018 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -83.92 162.31 20.53 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 122.031 -0.418 . . . . 0.0 111.414 -178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 53.1 tp -147.26 150.1 34.18 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.465 0.706 . . . . 0.0 109.806 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -132.53 -1.9 3.45 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 122.86 0.464 . . . . 0.0 111.498 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -82.7 -10.23 59.01 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 122.655 0.382 . . . . 0.0 111.061 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 78.6 p -92.91 -6.21 49.1 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.23 0.612 . . . . 0.0 111.411 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 40.4 tp -74.03 155.94 38.02 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.817 0.847 . . . . 0.0 108.906 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 35.5 t -56.64 138.59 52.21 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -94.96 -2.83 49.69 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -172.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 42.5 mm -114.62 -25.69 3.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 118.886 0.766 . . . . 0.0 111.19 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 6.4 p -142.24 -17.6 0.73 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 5.6 p 45.21 30.4 0.64 Allowed 'General case' 0 C--N 1.343 0.299 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 13.0 t -85.43 -19.0 31.98 Favored 'General case' 0 N--CA 1.457 -0.119 0 O-C-N 122.179 -0.326 . . . . 0.0 111.791 -177.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -148.83 163.11 27.14 Favored Pre-proline 0 N--CA 1.45 -0.435 0 C-N-CA 123.394 0.678 . . . . 0.0 109.818 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -56.96 8.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 1 C-N-CA 126.005 4.47 . . . . 0.0 116.695 -172.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 64.19 73.93 0.51 Allowed Glycine 0 CA--C 1.525 0.659 0 CA-C-N 119.447 1.021 . . . . 0.0 110.98 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -73.1 -8.49 22.21 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.835 3.023 . . . . 0.0 112.059 -176.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -125.32 157.75 35.91 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.191 0.519 . . . . 0.0 111.673 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -149.34 158.18 43.95 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.565 1.146 . . . . 0.0 108.203 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 9.0 t -129.24 159.76 35.1 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.223 0.465 . . . . 0.0 110.353 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 48.4 tpt85 -103.65 -17.25 15.21 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -169.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -79.3 154.82 28.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 118.874 0.761 . . . . 0.0 110.838 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -73.47 -5.24 38.79 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 32.6 m -92.74 -14.94 8.23 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 CA-C-N 117.767 0.258 . . . . 0.0 111.117 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 11.3 p -146.76 40.17 1.07 Allowed 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.966 0.506 . . . . 0.0 110.898 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -75.15 47.64 0.37 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.693 0.797 . . . . 0.0 112.083 -177.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -135.72 171.24 14.73 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.016 0.926 . . . . 0.0 110.219 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -85.74 148.57 25.79 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.982 0.42 . . . . 0.0 110.501 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -146.99 174.65 11.33 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.571 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 19.2 p -126.21 178.41 5.82 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.897 1.279 . . . . 0.0 108.376 175.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -55.48 -41.4 72.93 Favored 'General case' 0 C--O 1.231 0.106 0 O-C-N 121.813 -0.554 . . . . 0.0 111.433 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 73.0 m -66.37 -49.22 67.61 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -174.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 10.2 p -88.57 -15.73 34.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -62.59 -38.58 90.69 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 171.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -75.1 -29.67 60.69 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.545 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -70.46 -8.93 54.81 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.562 0.619 . . . . 0.0 111.426 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -123.93 -2.28 8.25 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -139.5 1.24 1.93 Allowed 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 30.3 t -80.12 -15.03 57.99 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.903 0.774 . . . . 0.0 109.908 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.8 ptp -71.87 147.06 47.49 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 176.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -67.13 -11.87 58.45 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -175.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -82.5 -20.86 61.22 Favored Glycine 0 CA--C 1.529 0.918 0 CA-C-O 118.838 -0.979 . . . . 0.0 113.877 -176.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 78.7 mt -127.15 22.01 6.68 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.676 1.238 . . . . 0.0 112.751 -173.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -71.49 -0.02 9.48 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.746 -0.596 . . . . 0.0 112.08 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 54.2 p-80 -90.19 -2.12 58.02 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.981 0.513 . . . . 0.0 111.687 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -79.65 160.3 26.4 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.932 0.493 . . . . 0.0 111.046 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 69.9 m -139.22 147.33 52.76 Favored Pre-proline 0 N--CA 1.453 -0.3 0 C-N-CA 124.09 0.956 . . . . 0.0 108.564 176.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.19 134.54 25.2 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 123.295 2.663 . . . . 0.0 111.487 -176.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 11.2 mp -108.57 167.58 9.95 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.436 1.094 . . . . 0.0 108.922 174.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -141.34 172.24 12.95 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.061 0.545 . . . . 0.0 110.851 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 35.9 ptt-85 -132.4 159.25 39.82 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.363 0.665 . . . . 0.0 110.399 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -152.01 161.72 42.19 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.087 0.555 . . . . 0.0 109.823 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -79.18 150.24 31.74 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.85 0.46 . . . . 0.0 110.027 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -75.77 161.6 28.9 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 122.588 0.355 . . . . 0.0 111.22 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -137.34 12.36 3.02 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.318 0.647 . . . . 0.0 110.762 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -138.33 160.3 39.84 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 123.85 0.86 . . . . 0.0 110.189 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -91.67 -0.59 57.58 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.046 0.538 . . . . 0.0 111.286 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 74.5 p -85.68 166.61 16.02 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.285 0.634 . . . . 0.0 110.854 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--O 1.25 1.127 0 C-N-CA 124.307 1.043 . . . . 0.0 111.652 -179.027 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 38.6 pt . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 110.915 -0.031 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -148.49 146.66 23.14 Favored Pre-proline 0 CA--C 1.533 0.314 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -59.42 -8.35 6.77 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 123.877 3.051 . . . . 0.0 114.258 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -138.55 159.11 42.9 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.371 0.532 . . . . 0.0 110.477 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -150.15 162.76 39.82 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.14 0.576 . . . . 0.0 110.772 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -119.94 10.05 11.42 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.971 0.508 . . . . 0.0 111.331 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -113.44 159.53 19.4 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.51 0.724 . . . . 0.0 110.493 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 66.3 p -146.39 161.63 39.95 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 122.881 0.472 . . . . 0.0 111.144 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . 0.415 HD22 ' HB2' ' A' ' 439' ' ' SER . 43.2 tp -150.71 147.49 27.4 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 36.3 t -59.66 127.12 30.42 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 175.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -86.23 3.82 41.43 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 112.602 0.594 . . . . 0.0 112.602 -174.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 35.0 mm -122.45 -24.98 2.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 117.88 0.309 . . . . 0.0 110.498 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 9.1 m -121.19 -35.03 3.37 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 122.219 0.208 . . . . 0.0 111.204 -174.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' SER . . . . . 0.415 ' HB2' HD22 ' A' ' 434' ' ' LEU . 13.2 p 41.61 27.41 0.06 Allowed 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.974 1.31 . . . . 0.0 114.111 -176.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 75.4 m -94.57 -10.45 32.01 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.408 0.683 . . . . 0.0 110.328 177.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -152.41 160.18 31.64 Favored Pre-proline 0 C--O 1.233 0.229 0 C-N-CA 124.233 1.013 . . . . 0.0 109.002 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -56.11 -9.45 3.32 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 124.396 3.397 . . . . 0.0 114.633 -175.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 75.82 91.26 0.21 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 -177.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -73.76 -7.38 20.02 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.623 2.882 . . . . 0.0 111.557 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -127.38 159.01 35.76 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 122.771 0.428 . . . . 0.0 111.453 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -145.64 151.02 37.39 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.503 1.121 . . . . 0.0 108.177 175.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 34.7 t -117.69 124.75 49.29 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.452 ' H ' ' CD ' ' A' ' 448' ' ' ARG . 0.0 OUTLIER -93.43 7.27 45.17 Favored 'General case' 0 CA--C 1.527 0.088 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -172.342 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -82.3 158.64 23.37 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.089 0.471 . . . . 0.0 111.093 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -72.82 -2.96 22.62 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 123.387 0.675 . . . . 0.0 112.56 -174.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 20.3 m -113.58 -0.51 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 122.781 0.433 . . . . 0.0 111.644 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 62.2 m -120.72 -69.94 0.81 Allowed 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 176.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 26.8 t80 47.24 33.22 2.45 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.278 1.431 . . . . 0.0 113.956 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -141.16 167.71 21.53 Favored 'General case' 0 C--N 1.339 0.15 0 O-C-N 121.891 -0.505 . . . . 0.0 111.334 -176.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -86.59 149.6 24.82 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.31 0.644 . . . . 0.0 109.598 175.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -148.98 172.64 14.39 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.401 0.62 . . . . 0.0 110.8 -176.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 22.0 p -124.3 176.71 6.27 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.491 1.516 . . . . 0.0 107.877 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -57.49 -35.34 70.09 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.241 0.473 . . . . 0.0 111.453 -174.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 75.1 m -67.12 -51.48 53.52 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 122.482 0.313 . . . . 0.0 111.349 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 15.5 p -86.81 -16.71 35.37 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -174.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -63.19 -38.24 90.39 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 172.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -77.86 -26.94 49.64 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.846 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 47.2 m0 -70.33 -13.81 62.31 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 118.62 0.646 . . . . 0.0 111.194 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.5 tpp85 -113.97 -16.37 12.18 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 122.874 0.47 . . . . 0.0 112.088 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -130.1 0.72 4.7 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -172.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 32.3 t -78.47 -14.0 59.57 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.899 0.772 . . . . 0.0 109.84 174.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.6 ptp -74.61 152.99 39.18 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.845 0.458 . . . . 0.0 109.77 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -72.36 -14.97 61.86 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.425 -0.172 . . . . 0.0 111.373 -176.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -79.12 -29.06 52.31 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-O 119.08 -0.844 . . . . 0.0 113.248 -176.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 66.2 mt -125.23 19.88 8.2 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.398 1.099 . . . . 0.0 112.212 -175.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -68.96 0.6 4.28 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -96.96 -2.36 43.78 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.579 0.751 . . . . 0.0 112.247 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -74.82 157.08 35.75 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.161 0.437 . . . . 0.0 110.189 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 50.6 m -134.81 141.11 37.31 Favored Pre-proline 0 C--O 1.232 0.159 0 CA-C-O 119.184 -0.436 . . . . 0.0 110.027 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -58.08 157.83 23.77 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 123.639 2.893 . . . . 0.0 113.422 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 30.3 tp -144.56 151.03 38.48 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 176.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.0 -32.28 27.04 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 118.239 0.472 . . . . 0.0 112.175 -175.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -165.18 161.64 19.54 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 117.949 0.34 . . . . 0.0 111.128 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -103.51 8.63 37.78 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.386 0.675 . . . . 0.0 111.32 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -78.6 -2.53 39.41 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.944 0.897 . . . . 0.0 111.754 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -147.5 155.73 42.16 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.451 0.701 . . . . 0.0 109.558 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -145.6 165.96 27.15 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 123.25 0.62 . . . . 0.0 110.189 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -73.68 146.59 44.38 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 122.715 0.406 . . . . 0.0 109.916 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -143.02 153.89 43.43 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 123.341 0.656 . . . . 0.0 109.939 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 43.1 m -139.51 4.1 2.15 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 122.969 0.508 . . . . 0.0 111.802 -176.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 117.164 -1.398 . . . . 0.0 110.905 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 53.1 mt . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -142.12 152.7 62.15 Favored Pre-proline 0 C--O 1.234 0.242 0 C-N-CA 123.277 0.631 . . . . 0.0 109.43 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -70.87 164.26 36.26 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.469 2.78 . . . . 0.0 110.566 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -144.52 169.59 17.66 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 122.863 0.465 . . . . 0.0 110.155 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.67 161.69 30.34 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 123.067 0.547 . . . . 0.0 110.55 -177.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -80.74 -7.66 59.43 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 122.926 0.491 . . . . 0.0 111.285 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -76.12 7.14 4.42 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 121.786 -0.571 . . . . 0.0 112.299 -179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 79.4 p -76.82 -6.73 53.54 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 122.573 0.349 . . . . 0.0 111.503 178.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 3.2 tp -59.18 156.77 11.61 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.787 0.835 . . . . 0.0 110.71 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 39.6 t -58.04 129.19 40.8 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 174.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -83.22 1.35 41.2 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.988 -0.445 . . . . 0.0 111.933 -175.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 30.9 mm -122.54 -21.33 3.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 122.689 0.396 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 19.3 m -126.44 -26.15 3.35 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.633 0.373 . . . . 0.0 111.884 -173.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 16.0 p 40.04 38.25 0.47 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.298 1.439 . . . . 0.0 114.344 176.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 67.6 m -121.39 -0.14 9.89 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.242 0.617 . . . . 0.0 111.797 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . 0.401 ' C ' ' H ' ' A' ' 443' ' ' GLY . 0.1 OUTLIER -148.73 155.54 41.35 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 124.334 1.054 . . . . 0.0 109.525 -179.477 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -69.42 24.0 0.16 Allowed 'Trans proline' 0 CA--C 1.534 0.498 0 C-N-CA 125.033 3.822 . . . . 0.0 113.686 -176.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 441' ' ' GLN . . . 64.92 74.89 0.43 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 176.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -69.65 -9.4 26.05 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 123.299 2.666 . . . . 0.0 111.451 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -132.05 152.82 50.95 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 121.245 0.545 . . . . 0.0 111.516 177.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -151.78 161.1 43.21 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.975 1.31 . . . . 0.0 108.525 177.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 6.5 t -135.7 154.5 51.25 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 117.86 0.3 . . . . 0.0 110.197 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -103.07 -3.45 25.91 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -173.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.55 155.16 23.44 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 118.68 0.673 . . . . 0.0 111.055 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -74.99 -4.65 39.53 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.349 0.66 . . . . 0.0 112.197 -175.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.39 -8.39 9.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' CYS . . . . . 0.434 ' C ' ' H ' ' A' ' 454' ' ' LYS . 11.3 p -149.04 35.94 0.76 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.015 0.526 . . . . 0.0 110.914 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -68.84 22.62 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.809 1.244 . . . . 0.0 113.376 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' A' ' 452' ' ' CYS . 99.2 mttt -107.88 164.57 12.15 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.408 0.683 . . . . 0.0 111.289 -175.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -81.02 146.46 30.65 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -143.69 170.93 14.93 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.325 0.583 . . . . 0.0 111.222 -175.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 27.4 p -117.5 179.03 4.17 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.31 1.444 . . . . 0.0 107.457 172.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -61.11 -32.42 72.1 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.658 0.663 . . . . 0.0 111.526 -174.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 19.5 t -73.01 -50.74 21.38 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 122.172 0.189 . . . . 0.0 111.311 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 16.9 p -82.61 -16.01 50.01 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 -178.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -61.16 -41.53 96.94 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 170.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -71.92 -29.16 64.02 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.735 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 52.8 m0 -69.67 -12.22 61.46 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 118.793 0.724 . . . . 0.0 111.591 177.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -118.68 -7.88 10.47 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -139.06 -1.14 1.79 Allowed 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -174.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 22.9 t -81.12 -13.78 58.35 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 119.047 0.839 . . . . 0.0 109.921 175.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.6 ptp -73.49 150.87 41.29 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.999 0.519 . . . . 0.0 109.825 176.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -69.95 -7.23 38.85 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -84.38 -30.99 26.16 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 118.871 -0.961 . . . . 0.0 112.743 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 67.2 mt -126.67 14.93 7.56 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 118.345 1.072 . . . . 0.0 112.774 -174.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -70.02 2.02 3.98 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.933 -0.48 . . . . 0.0 112.128 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -94.44 -1.72 53.1 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.559 0.744 . . . . 0.0 112.055 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -76.45 164.11 26.3 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.732 0.413 . . . . 0.0 110.816 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 52.7 m -124.56 146.87 53.84 Favored Pre-proline 0 N--CA 1.454 -0.27 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -74.79 136.49 20.93 Favored 'Trans proline' 0 N--CA 1.45 -1.057 0 C-N-CA 123.248 2.632 . . . . 0.0 112.043 -176.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.85 167.62 11.24 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 172.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -149.5 169.88 19.88 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.825 0.345 . . . . 0.0 110.89 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -61.59 141.59 57.68 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -111.09 -0.38 16.62 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -174.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -143.84 148.89 36.16 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 122.705 0.402 . . . . 0.0 110.506 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -150.99 150.39 30.72 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.975 0.91 . . . . 0.0 109.095 177.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -71.7 162.52 29.33 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 122.697 0.399 . . . . 0.0 111.342 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -76.16 155.48 34.56 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -146.89 156.76 43.34 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.214 0.606 . . . . 0.0 110.61 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 53.3 m -141.53 11.26 2.09 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.033 0.933 . . . . 0.0 110.889 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 43.9 m . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.031 -1.462 . . . . 0.0 111.159 -178.534 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 48.8 mm . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -121.59 155.01 60.08 Favored Pre-proline 0 CA--C 1.533 0.301 0 C-N-CA 122.844 0.458 . . . . 0.0 110.416 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -73.27 -4.87 16.18 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.871 3.047 . . . . 0.0 111.708 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -143.01 155.68 44.7 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.593 0.757 . . . . 0.0 109.612 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 53.9 tp -148.68 149.19 31.03 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.943 0.402 . . . . 0.0 110.074 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -145.62 146.74 31.46 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.67 0.788 . . . . 0.0 108.902 177.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -152.38 171.15 18.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.109 0.48 . . . . 0.0 111.785 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 23.3 t -143.76 168.48 19.81 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.042 0.937 . . . . 0.0 108.735 177.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -71.31 175.79 5.1 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 121.181 0.515 . . . . 0.0 111.138 -177.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 40.1 t -52.4 142.65 16.9 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.384 0.674 . . . . 0.0 109.76 172.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -84.78 0.3 51.2 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 -174.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 34.5 mm -118.7 -20.42 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.126 0 CA-C-N 118.396 0.544 . . . . 0.0 111.578 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.2 p -135.26 -18.3 1.76 Allowed 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -177.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 21.2 p 41.35 40.72 1.3 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 26.3 m -126.91 -0.25 6.61 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 124.414 1.086 . . . . 0.0 111.432 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -134.94 158.19 75.47 Favored Pre-proline 0 N--CA 1.454 -0.226 0 C-N-CA 124.05 0.94 . . . . 0.0 109.424 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -62.67 -2.35 3.36 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 124.887 3.725 . . . . 0.0 115.089 -171.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 61.53 49.94 71.64 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -175.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -70.97 -9.63 26.05 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 124.044 3.163 . . . . 0.0 112.877 -172.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -119.44 154.4 33.76 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.123 0.487 . . . . 0.0 111.664 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -147.84 152.96 38.52 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.782 1.233 . . . . 0.0 108.333 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 9.1 t -125.68 152.12 45.67 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.795 0.331 . . . . 0.0 110.918 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 45.7 mtm105 -92.88 -7.7 45.45 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -171.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.21 157.48 17.15 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 118.819 0.736 . . . . 0.0 110.856 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -73.98 -6.06 45.09 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -175.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 28.2 m -97.2 -10.18 8.89 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 CA-C-N 117.821 0.282 . . . . 0.0 111.345 -178.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 4.2 p -146.93 36.31 0.94 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.604 0.762 . . . . 0.0 110.363 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -73.72 34.61 0.08 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.514 1.125 . . . . 0.0 113.194 -175.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -131.67 170.21 15.1 Favored 'General case' 0 N--CA 1.458 -0.053 0 C-N-CA 123.813 0.845 . . . . 0.0 109.852 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -82.31 143.21 31.45 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -145.72 165.88 27.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.193 0.597 . . . . 0.0 110.69 -177.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 23.5 p -103.45 177.55 4.81 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.383 1.073 . . . . 0.0 109.166 173.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -58.92 -31.09 68.34 Favored 'General case' 0 CA--C 1.528 0.098 0 O-C-N 122.065 -0.397 . . . . 0.0 111.659 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 8.2 t -72.13 -48.6 42.51 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.822 0.82 . . . . 0.0 109.913 -178.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 37.6 m -80.2 -19.91 45.93 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.684 -172.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -67.19 -41.35 86.02 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 171.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -72.47 -16.35 61.8 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.885 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 54.3 m0 -86.71 -12.98 46.69 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.037 0.38 . . . . 0.0 111.82 175.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -109.73 -1.74 17.81 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 123.176 0.59 . . . . 0.0 111.8 175.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -136.9 19.43 3.03 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 117.944 0.338 . . . . 0.0 111.704 -177.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 54.8 p -68.37 -26.52 65.62 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 122.523 0.329 . . . . 0.0 111.045 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.3 ptp -82.17 152.25 26.56 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 122.781 0.433 . . . . 0.0 110.795 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -73.17 -9.44 58.72 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.627 0.371 . . . . 0.0 111.898 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -81.77 -13.5 79.64 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-O 118.966 -0.908 . . . . 0.0 113.551 -176.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 66.8 mt -119.91 19.14 12.44 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 118.616 1.208 . . . . 0.0 112.0 -177.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -74.53 0.55 14.47 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -90.62 -3.19 57.71 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.351 0.66 . . . . 0.0 111.478 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 41.3 m170 -76.13 162.98 27.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.345 0.658 . . . . 0.0 111.67 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 75.6 p -144.62 149.61 44.2 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 123.893 0.877 . . . . 0.0 109.394 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -68.63 156.11 66.62 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 123.563 2.842 . . . . 0.0 111.004 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 11.9 tp -146.62 160.33 42.31 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.341 0.656 . . . . 0.0 109.573 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 72.3 mtm -138.35 159.26 42.52 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.052 0.541 . . . . 0.0 110.058 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 48.8 tpt85 -83.56 -12.89 55.59 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 122.767 0.427 . . . . 0.0 111.163 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -144.35 162.82 35.48 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -148.23 154.77 40.52 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.232 0.613 . . . . 0.0 109.747 -178.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -135.26 165.12 26.16 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 123.231 0.613 . . . . 0.0 110.527 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -148.01 166.25 28.31 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.336 0.654 . . . . 0.0 109.643 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -137.07 164.21 28.94 Favored 'General case' 0 C--O 1.23 0.044 0 C-N-CA 123.397 0.679 . . . . 0.0 110.273 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -147.1 155.31 42.07 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.173 0.589 . . . . 0.0 110.389 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 83.6 p -151.69 165.47 34.29 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 122.886 0.475 . . . . 0.0 111.015 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 65.2 m . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.592 -1.194 . . . . 0.0 110.256 -179.679 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 41.0 pt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 119.986 -0.054 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -146.81 77.39 11.2 Favored Pre-proline 0 CA--C 1.532 0.264 0 C-N-CA 122.988 0.515 . . . . 0.0 110.123 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -58.07 162.78 10.84 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.893 3.062 . . . . 0.0 112.321 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -140.51 167.02 23.14 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.886 0.474 . . . . 0.0 110.382 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 83.3 mt -80.8 -4.2 53.78 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.939 0.496 . . . . 0.0 112.017 -176.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -135.05 167.54 20.77 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.57 0.748 . . . . 0.0 110.052 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -77.24 32.93 0.15 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.655 0.782 . . . . 0.0 111.668 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.3 t -81.82 11.29 5.06 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.668 0.787 . . . . 0.0 112.03 -178.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . 0.405 ' HB3' ' HA ' ' A' ' 439' ' ' SER . 2.6 mm? -70.86 171.03 11.37 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.083 0.468 . . . . 0.0 110.466 178.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 30.8 t -54.03 135.75 42.6 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 169.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -71.91 -10.42 59.75 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -173.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 39.8 mm -122.47 -26.77 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 122.378 0.271 . . . . 0.0 110.999 -176.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.1 m -105.17 -24.08 12.8 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -173.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' SER . . . . . 0.405 ' HA ' ' HB3' ' A' ' 434' ' ' LEU . 22.6 p 35.96 48.14 0.48 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.803 1.241 . . . . 0.0 114.131 177.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 44.7 m -131.32 -16.83 3.06 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.211 0.605 . . . . 0.0 111.822 -177.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -158.52 158.24 29.36 Favored Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 123.683 0.793 . . . . 0.0 109.284 177.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -65.39 107.46 1.01 Allowed 'Trans proline' 0 N--CA 1.449 -1.146 0 C-N-CA 122.561 2.174 . . . . 0.0 107.887 170.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -51.1 136.11 30.47 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 123.238 0.447 . . . . 0.0 112.013 -177.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -75.12 -7.83 19.4 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 124.381 3.387 . . . . 0.0 111.541 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -130.39 156.53 44.57 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.91 0.484 . . . . 0.0 111.216 -179.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -136.26 137.85 41.19 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 173.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 19.0 t -100.25 116.28 31.86 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -87.3 6.14 34.92 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -172.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.55 156.31 22.85 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.039 -0.413 . . . . 0.0 110.662 177.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -70.84 -18.56 62.71 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -172.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 27.5 m -91.56 -8.18 10.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 118.474 0.579 . . . . 0.0 111.726 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 62.5 m -113.57 -65.66 1.16 Allowed 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 22.2 t80 47.93 25.71 0.81 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.931 1.692 . . . . 0.0 114.771 175.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -140.89 173.09 11.82 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.5 0.591 . . . . 0.0 111.465 -177.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -82.59 150.0 27.13 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.537 0.735 . . . . 0.0 110.688 177.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -151.01 173.84 13.85 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.474 0.709 . . . . 0.0 110.114 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 21.5 p -125.74 174.0 8.63 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.65 1.18 . . . . 0.0 108.256 175.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -58.37 -34.26 70.49 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.938 -0.477 . . . . 0.0 112.013 -172.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 74.9 m -69.05 -48.68 62.2 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -176.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 23.3 p -88.95 -16.73 31.06 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 111.449 0.166 . . . . 0.0 111.449 -174.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -62.75 -39.38 93.96 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 171.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -73.7 -30.28 62.77 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.589 177.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 47.1 m0 -70.06 -12.37 61.56 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.661 0.664 . . . . 0.0 111.523 178.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 27.8 mmt85 -118.69 -4.31 10.76 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 178.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -133.33 3.56 3.64 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 73.2 m -76.87 -13.79 59.96 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 121.368 -0.832 . . . . 0.0 110.591 173.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.3 ptp -73.51 151.33 41.04 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 176.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -72.02 -17.55 62.03 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -175.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -78.58 -22.06 67.91 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 118.978 -0.901 . . . . 0.0 113.827 -175.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 58.9 mt -120.56 25.04 10.01 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 118.576 1.188 . . . . 0.0 112.14 -174.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 29.5 mmt85 -68.81 -2.55 9.74 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.943 0.497 . . . . 0.0 112.163 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -97.42 -1.65 43.85 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.696 0.798 . . . . 0.0 112.47 -175.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -75.88 158.51 32.0 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 118.269 0.486 . . . . 0.0 111.128 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 54.3 p -145.97 147.82 33.46 Favored Pre-proline 0 N--CA 1.453 -0.302 0 C-N-CA 123.443 0.697 . . . . 0.0 109.79 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -71.78 161.16 45.93 Favored 'Trans proline' 0 N--CA 1.449 -1.114 0 C-N-CA 123.461 2.774 . . . . 0.0 111.336 -177.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . 0.459 ' HG ' ' H ' ' A' ' 478' ' ' ARG . 53.7 tp -141.93 147.09 36.46 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.709 0.803 . . . . 0.0 109.315 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -127.88 9.96 6.44 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.017 0.527 . . . . 0.0 111.53 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . 0.459 ' H ' ' HG ' ' A' ' 476' ' ' LEU . 76.9 mtm180 55.58 16.53 1.92 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.504 1.121 . . . . 0.0 113.094 -177.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -150.85 167.61 26.99 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -109.71 171.41 7.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.126 0.57 . . . . 0.0 111.103 -178.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -99.64 -12.89 19.65 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.076 0.55 . . . . 0.0 110.908 178.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -111.4 -7.91 14.34 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.253 0.621 . . . . 0.0 111.203 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -142.87 165.43 27.4 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.675 0.79 . . . . 0.0 109.194 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -146.28 155.98 43.04 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.618 0.367 . . . . 0.0 110.277 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 31.7 t -152.42 160.64 43.25 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.933 0.493 . . . . 0.0 110.447 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 C--O 1.252 1.196 0 CA-C-O 117.584 -1.198 . . . . 0.0 110.278 -179.297 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 66.2 mt . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -147.54 143.67 18.29 Favored Pre-proline 0 CA--C 1.534 0.33 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -56.65 153.21 37.18 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 123.519 2.812 . . . . 0.0 113.007 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -83.72 -7.4 59.49 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.373 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 42.8 tp -76.64 -14.06 60.01 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.691 0.397 . . . . 0.0 110.432 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -86.74 -2.15 58.31 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 122.794 0.438 . . . . 0.0 110.992 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -90.8 -8.85 48.51 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.126 0.57 . . . . 0.0 111.026 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 50.0 m -81.5 154.71 26.16 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 122.849 0.46 . . . . 0.0 110.593 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -104.87 177.91 4.71 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.169 0.509 . . . . 0.0 111.086 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 12.0 t -56.97 137.66 55.26 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 169.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -78.89 -0.77 32.1 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 33.3 mm -123.44 -24.34 2.29 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 C-N-CA 122.689 0.395 . . . . 0.0 110.877 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 30.6 m -114.9 -24.85 8.44 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -172.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 20.3 p 41.94 39.19 1.21 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.117 0.967 . . . . 0.0 113.116 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 79.3 p -134.56 -14.13 2.23 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.584 0.754 . . . . 0.0 112.332 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -132.11 159.91 70.11 Favored Pre-proline 0 N--CA 1.456 -0.17 0 C-N-CA 123.882 0.873 . . . . 0.0 109.264 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -62.45 6.94 0.16 Allowed 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 124.949 3.766 . . . . 0.0 114.975 -175.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 57.75 58.46 14.49 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 -175.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -70.87 -11.08 28.89 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 123.967 3.112 . . . . 0.0 112.404 -169.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -121.37 151.76 39.78 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.101 0.477 . . . . 0.0 111.479 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -149.21 155.38 40.54 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.889 0.876 . . . . 0.0 108.73 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 7.6 t -131.13 162.13 30.58 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 122.744 0.417 . . . . 0.0 110.391 -176.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 48.7 tpt85 -100.59 -16.98 17.28 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 -170.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.72 155.75 24.13 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.708 0.685 . . . . 0.0 110.866 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -70.54 -4.36 22.61 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.224 0.609 . . . . 0.0 112.314 -175.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 23.3 m -101.06 -8.81 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 122.647 0.379 . . . . 0.0 111.298 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 3.9 p -146.19 32.28 1.0 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.625 0.77 . . . . 0.0 111.142 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -75.37 38.14 0.14 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.388 1.075 . . . . 0.0 112.349 -177.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -132.84 167.36 20.34 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 123.696 0.799 . . . . 0.0 110.207 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -83.13 140.14 32.78 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -143.94 170.44 15.9 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.305 0.642 . . . . 0.0 110.993 -174.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 22.6 p -116.27 179.82 3.88 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.178 1.391 . . . . 0.0 107.846 173.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 61.4 ttt85 -60.3 -31.66 70.47 Favored 'General case' 0 N--CA 1.462 0.131 0 O-C-N 121.692 -0.63 . . . . 0.0 111.813 -173.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 17.5 t -73.06 -49.72 27.01 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 120.437 0.161 . . . . 0.0 111.374 -174.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 7.0 p -84.02 -16.18 44.87 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 119.585 -0.245 . . . . 0.0 111.422 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -62.83 -39.31 93.94 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 170.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -72.35 -27.73 62.59 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.187 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.7 m0 -72.98 -10.08 59.42 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.784 0.72 . . . . 0.0 111.584 176.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -115.52 -3.96 12.32 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 118.875 -0.584 . . . . 0.0 112.317 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -138.35 14.51 2.79 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.889 0.768 . . . . 0.0 112.985 -176.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 58.5 p -72.12 -24.99 61.55 Favored 'General case' 0 C--O 1.232 0.148 0 O-C-N 122.11 -0.369 . . . . 0.0 110.981 176.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 21.7 ptp -76.44 145.38 39.32 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 122.776 0.43 . . . . 0.0 110.119 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.39 -10.02 57.92 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -175.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -80.87 -15.22 78.07 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-O 118.753 -1.026 . . . . 0.0 112.727 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 68.1 mt -123.03 13.08 9.72 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 118.606 1.203 . . . . 0.0 112.765 -176.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -74.58 4.62 5.84 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 118.738 0.699 . . . . 0.0 111.842 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -90.7 -3.99 57.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.653 0.781 . . . . 0.0 111.301 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -77.35 160.53 28.73 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.213 0.605 . . . . 0.0 111.221 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 62.8 m -138.82 132.48 16.17 Favored Pre-proline 0 C--O 1.233 0.214 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -62.09 142.08 90.97 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 122.796 2.331 . . . . 0.0 113.011 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 11.1 mp -102.31 152.39 21.13 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 170.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 86.7 mmm -123.07 17.62 10.01 Favored 'General case' 0 C--O 1.231 0.082 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -172.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 92.5 mtm-85 54.07 19.99 2.31 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.592 0.757 . . . . 0.0 112.522 -174.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -148.85 163.34 37.71 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.426 0.69 . . . . 0.0 109.509 -178.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.29 171.38 14.4 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.009 0.524 . . . . 0.0 111.155 -178.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -135.82 162.03 33.95 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 123.849 0.86 . . . . 0.0 110.051 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -78.39 160.85 27.56 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.409 0.284 . . . . 0.0 110.245 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -146.72 165.14 30.52 Favored 'General case' 0 N--CA 1.457 -0.093 0 C-N-CA 123.109 0.564 . . . . 0.0 110.779 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -147.63 153.95 40.02 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.998 0.519 . . . . 0.0 110.177 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 50.7 m -142.21 2.04 1.46 Allowed 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.12 0.568 . . . . 0.0 111.851 -177.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 50.6 p . . . . . 0 C--O 1.253 1.241 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.869 -178.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 67.4 mt . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -78.49 152.53 78.41 Favored Pre-proline 0 C--O 1.234 0.266 0 C-N-CA 122.756 0.422 . . . . 0.0 110.455 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -71.11 160.32 49.51 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 123.605 2.87 . . . . 0.0 110.813 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -78.55 -5.73 53.55 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 122.554 0.342 . . . . 0.0 111.745 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 47.3 tp -66.53 -15.25 63.26 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.285 0.634 . . . . 0.0 110.724 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -104.19 15.06 29.2 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.443 0.697 . . . . 0.0 111.104 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -135.3 169.17 17.88 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.429 0.692 . . . . 0.0 110.231 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 79.6 p -82.12 0.62 39.91 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -177.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 3.5 tp -63.25 161.32 13.99 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.318 0.647 . . . . 0.0 110.418 178.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 38.4 t -60.23 127.97 34.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 173.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -81.1 2.77 25.92 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 32.6 mm -127.01 -23.85 1.64 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.173 0 C-N-CA 122.767 0.427 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 19.2 m -120.27 -27.36 5.26 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.883 0.473 . . . . 0.0 111.796 -173.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 19.6 p 40.18 39.25 0.62 Allowed 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 177.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 37.2 m -122.66 0.02 9.23 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 123.143 0.577 . . . . 0.0 111.497 177.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.41 155.81 45.93 Favored Pre-proline 0 N--CA 1.455 -0.224 0 C-N-CA 124.273 1.029 . . . . 0.0 109.277 -179.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -71.55 29.82 0.24 Allowed 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 125.005 3.804 . . . . 0.0 113.066 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 59.03 75.06 0.29 Allowed Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -70.32 -8.49 23.73 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.307 2.672 . . . . 0.0 111.604 -176.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -136.07 152.94 51.4 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.326 0.584 . . . . 0.0 111.958 178.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -151.56 151.94 32.24 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 7.2 t -121.28 141.04 51.28 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -86.75 -2.39 58.51 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -174.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -88.43 155.28 19.77 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 118.145 0.43 . . . . 0.0 110.855 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . 0.429 ' H ' ' CD ' ' A' ' 450' ' ' GLN . 0.0 OUTLIER -77.37 -0.74 26.85 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -174.569 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 28.8 m -102.95 -9.51 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 C-N-CA 122.497 0.319 . . . . 0.0 111.47 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 2.5 p -145.92 36.69 1.04 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.359 0.664 . . . . 0.0 110.29 177.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -74.26 41.58 0.14 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.818 1.247 . . . . 0.0 112.764 -176.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -134.89 165.6 24.94 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 123.344 0.658 . . . . 0.0 110.598 -177.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -80.25 139.85 36.49 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 121.0 0.428 . . . . 0.0 109.935 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -145.69 174.12 11.48 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.548 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 26.5 p -119.18 -178.65 3.63 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.046 1.339 . . . . 0.0 107.768 174.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -62.43 -26.07 68.3 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.511 -0.743 . . . . 0.0 111.932 -174.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 21.7 t -76.54 -52.72 9.21 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 117.806 0.275 . . . . 0.0 110.926 -175.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 4.6 p -80.15 -15.49 56.98 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 111.468 0.173 . . . . 0.0 111.468 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 37.3 t-105 -64.58 -41.57 96.17 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -71.97 -19.79 61.83 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.668 177.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 53.6 m0 -81.48 -14.4 57.04 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.596 0.634 . . . . 0.0 111.813 175.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -105.32 -5.96 20.05 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.234 0.47 . . . . 0.0 111.216 175.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -134.68 23.03 3.64 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 117.827 0.285 . . . . 0.0 111.472 -177.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 53.8 p -70.1 -22.68 63.01 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 123.145 0.578 . . . . 0.0 111.496 177.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.9 ptp -94.1 140.43 29.75 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.93 -8.78 24.36 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 -177.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -75.2 -15.47 81.12 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 118.686 -1.063 . . . . 0.0 112.884 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 62.8 mt -123.79 8.12 8.78 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.225 1.013 . . . . 0.0 112.619 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -78.35 7.53 6.36 Favored 'General case' 0 C--O 1.232 0.157 0 O-C-N 121.469 -0.77 . . . . 0.0 111.708 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -88.47 -3.16 58.88 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.579 0.751 . . . . 0.0 110.569 174.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -73.81 168.21 19.87 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.913 0.885 . . . . 0.0 110.804 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 78.2 p -136.16 148.33 64.14 Favored Pre-proline 0 N--CA 1.456 -0.134 0 C-N-CA 123.026 0.53 . . . . 0.0 110.188 177.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -72.35 162.18 42.26 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.694 2.929 . . . . 0.0 111.77 -177.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 16.3 tp -144.47 150.76 38.15 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.058 0.943 . . . . 0.0 108.634 177.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -136.47 26.68 3.13 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -174.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 80.7 mtm-85 56.22 15.08 1.74 Allowed 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.928 0.891 . . . . 0.0 112.668 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -153.86 161.37 42.09 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.329 0.652 . . . . 0.0 109.735 -178.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -135.35 152.68 51.68 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.214 0.606 . . . . 0.0 109.621 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -137.98 161.4 36.8 Favored 'General case' 0 C--O 1.23 0.054 0 C-N-CA 122.832 0.453 . . . . 0.0 110.457 -177.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -147.88 155.92 42.13 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.319 0.648 . . . . 0.0 110.043 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -140.34 -6.0 1.22 Allowed 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.746 0.818 . . . . 0.0 110.795 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 53.29 23.16 3.07 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.16 0.984 . . . . 0.0 112.726 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 81.2 p -87.5 -0.82 57.38 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.307 0.643 . . . . 0.0 112.051 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 C--O 1.25 1.126 0 CA-C-O 117.339 -1.315 . . . . 0.0 110.622 -179.442 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 9.0 tp . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -147.97 152.65 40.71 Favored Pre-proline 0 CA--C 1.53 0.209 0 C-N-CA 123.215 0.606 . . . . 0.0 109.797 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -73.99 168.73 24.07 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 124.201 3.267 . . . . 0.0 111.731 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -130.19 160.95 32.29 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.181 0.592 . . . . 0.0 110.831 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 36.9 tp -95.42 -6.46 40.81 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.145 0.578 . . . . 0.0 110.942 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -144.28 155.36 43.81 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.483 0.713 . . . . 0.0 109.615 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -113.52 161.56 17.23 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.77 0.428 . . . . 0.0 111.335 -177.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 21.4 m -96.35 2.9 53.15 Favored 'General case' 0 C--O 1.227 -0.081 0 C-N-CA 123.289 0.636 . . . . 0.0 111.601 -178.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 21.2 tp -82.33 155.58 24.7 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 123.885 0.874 . . . . 0.0 109.518 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 42.5 t -58.56 146.09 36.98 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -92.54 -13.08 30.27 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -169.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 44.3 mm -114.97 -26.75 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 118.751 0.705 . . . . 0.0 111.801 -176.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 5.3 p -129.91 -22.56 2.89 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 118.911 -0.566 . . . . 0.0 111.895 -176.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 5.0 p 45.47 25.73 0.25 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.714 1.206 . . . . 0.0 113.429 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 60.5 m -82.98 -12.44 57.29 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 122.597 0.359 . . . . 0.0 111.337 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -158.13 157.58 29.34 Favored Pre-proline 0 N--CA 1.454 -0.267 0 C-N-CA 123.39 0.676 . . . . 0.0 110.02 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.33 106.21 1.17 Allowed 'Trans proline' 0 N--CA 1.452 -0.968 0 C-N-CA 122.382 2.055 . . . . 0.0 107.468 170.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -50.47 120.52 8.75 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-O 119.823 -0.432 . . . . 0.0 112.042 -175.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -76.79 -7.62 17.6 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 124.029 3.153 . . . . 0.0 111.25 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -126.67 159.23 34.25 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.232 0.539 . . . . 0.0 111.421 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -138.34 154.2 48.98 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 176.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' CYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 43.4 t -131.26 131.52 43.93 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -177.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -108.57 82.51 1.62 Allowed 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.121 0.569 . . . . 0.0 110.926 -173.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -137.12 174.19 10.88 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.198 175.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -72.67 -13.21 61.3 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.264 0.625 . . . . 0.0 110.912 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 16.2 m -120.05 -14.16 8.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 C-N-CA 122.679 0.391 . . . . 0.0 111.693 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' CYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 79.8 m -91.46 -97.94 0.12 Allowed 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 175.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 25.5 t80 54.8 32.46 17.63 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.574 1.149 . . . . 0.0 112.87 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -143.28 168.62 19.36 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.593 0.757 . . . . 0.0 110.491 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -84.86 149.63 25.55 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.072 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -148.19 170.21 18.35 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.85 0.46 . . . . 0.0 110.514 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 23.9 p -121.22 173.45 7.3 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 174.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -57.31 -38.02 73.38 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.909 -0.494 . . . . 0.0 111.567 -171.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 73.1 m -69.16 -51.54 37.19 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -175.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 25.0 p -84.22 -13.88 51.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.698 -175.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' TRP . . . . . 0.401 ' CZ3' ' HB2' ' A' ' 447' ' ' CYS . 17.6 t-105 -63.71 -41.17 98.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 170.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -74.09 -23.13 59.29 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.156 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 47.7 m0 -75.07 -18.7 60.25 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 118.546 0.612 . . . . 0.0 111.758 176.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -113.78 -1.61 13.89 Favored 'General case' 0 C--N 1.34 0.169 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -132.56 9.3 4.29 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 62.9 p -76.59 -23.21 53.46 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 122.01 -0.432 . . . . 0.0 110.502 174.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 20.2 ptp -73.56 142.36 46.65 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.076 0.55 . . . . 0.0 109.981 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -66.47 -17.05 64.58 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.735 0.414 . . . . 0.0 111.703 -172.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -75.56 -18.76 79.68 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 118.88 -0.956 . . . . 0.0 113.393 -177.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 69.6 mt -124.92 16.72 8.59 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.48 1.14 . . . . 0.0 113.126 -175.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -72.28 1.26 8.02 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 121.668 -0.645 . . . . 0.0 112.203 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 53.0 p-80 -88.7 -2.6 58.68 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.197 0.599 . . . . 0.0 111.557 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -78.87 158.99 27.99 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.183 0.515 . . . . 0.0 110.879 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 77.7 p -145.15 151.39 48.18 Favored Pre-proline 0 N--CA 1.454 -0.247 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -66.03 153.72 76.94 Favored 'Trans proline' 0 N--CA 1.45 -1.048 0 C-N-CA 123.523 2.815 . . . . 0.0 110.821 -177.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 26.1 tp -137.99 152.8 49.25 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.614 0.766 . . . . 0.0 109.286 -178.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.45 158.86 20.13 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.213 0.605 . . . . 0.0 111.113 -178.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -100.92 -12.27 19.09 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 122.95 0.5 . . . . 0.0 111.287 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -149.12 157.15 43.16 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.174 0.59 . . . . 0.0 109.571 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -145.92 6.26 1.03 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 122.984 0.514 . . . . 0.0 111.142 -178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -142.22 153.66 44.17 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 122.697 0.399 . . . . 0.0 110.874 -178.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -71.67 163.15 28.3 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.99 0.424 . . . . 0.0 110.453 177.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 53.6 ptt85 -149.24 168.75 22.44 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 123.5 0.72 . . . . 0.0 110.523 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -78.58 157.79 28.67 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.266 177.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 9.4 t 57.37 -175.84 0.07 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.01 0.924 . . . . 0.0 112.382 -177.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 62.4 m . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.834 -1.079 . . . . 0.0 110.383 -178.236 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 9.4 tp . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -72.41 153.06 92.08 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 123.024 0.53 . . . . 0.0 110.91 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -72.67 163.68 37.77 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 123.578 2.852 . . . . 0.0 110.857 178.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -130.25 11.82 5.48 Favored 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 123.395 0.678 . . . . 0.0 111.116 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 10.0 mp -78.7 163.37 25.47 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.899 0.38 . . . . 0.0 110.441 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -139.6 169.36 17.89 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 123.932 0.893 . . . . 0.0 109.835 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.91 -7.65 42.19 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.771 0.32 . . . . 0.0 110.598 176.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 85.7 p -89.82 23.11 2.83 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.204 1.001 . . . . 0.0 111.341 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 2.1 tp -54.02 147.53 12.38 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.999 0.52 . . . . 0.0 110.278 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 38.7 t -54.45 129.95 37.73 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -80.11 1.44 27.95 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -176.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 32.9 mm -124.39 -23.86 2.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 122.754 0.422 . . . . 0.0 110.575 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 18.7 m -119.13 -28.33 5.49 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.614 0.366 . . . . 0.0 111.375 -174.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 12.2 p 38.03 38.26 0.18 Allowed 'General case' 0 C--N 1.339 0.151 0 C-N-CA 125.717 1.607 . . . . 0.0 114.507 177.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 75.3 m -110.06 -11.62 14.6 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.646 0.378 . . . . 0.0 111.826 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -159.87 161.94 25.53 Favored Pre-proline 0 N--CA 1.453 -0.304 0 C-N-CA 122.856 0.463 . . . . 0.0 109.961 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.62 108.01 0.38 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 123.127 2.551 . . . . 0.0 108.141 169.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -52.63 122.63 20.16 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -177.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -75.08 -7.89 19.49 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.944 3.096 . . . . 0.0 112.187 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -126.0 148.03 49.39 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 118.392 0.542 . . . . 0.0 112.264 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -154.57 152.03 29.55 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.287 1.035 . . . . 0.0 109.506 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 68.7 m -116.54 142.16 47.24 Favored 'General case' 0 C--O 1.23 0.077 0 C-N-CA 123.137 0.575 . . . . 0.0 110.417 176.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -82.65 -4.73 58.19 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.836 174.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.84 153.97 36.46 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.524 0.73 . . . . 0.0 110.103 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -80.41 -16.01 55.47 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -174.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 34.8 m -84.62 -14.34 11.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 O-C-N 122.028 -0.42 . . . . 0.0 112.092 -177.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 14.9 p -148.55 43.89 1.02 Allowed 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.177 0.591 . . . . 0.0 110.053 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -73.14 41.3 0.1 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.636 1.174 . . . . 0.0 111.892 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -132.37 168.95 17.23 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.144 0.978 . . . . 0.0 110.075 -177.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -87.35 147.15 25.61 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.892 0.377 . . . . 0.0 110.603 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -146.5 172.21 13.89 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.451 0.7 . . . . 0.0 110.409 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 18.8 p -125.54 178.92 5.37 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.969 1.308 . . . . 0.0 108.513 176.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -55.29 -38.88 69.2 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 121.594 -0.691 . . . . 0.0 112.051 -172.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 73.3 m -68.04 -50.28 56.24 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.499 0.319 . . . . 0.0 111.66 -175.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 8.9 p -87.56 -15.95 35.98 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -174.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -62.36 -40.48 96.56 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 171.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -74.83 -27.08 60.14 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.879 177.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 43.2 m0 -72.95 -7.62 51.88 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.308 0.504 . . . . 0.0 111.431 175.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -123.92 -2.69 8.22 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 177.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -139.55 2.73 2.05 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -177.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 37.3 t -75.6 -21.0 58.19 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 118.796 0.726 . . . . 0.0 109.929 175.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.7 ptp -69.06 144.64 53.93 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 175.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -70.26 -6.77 37.2 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -175.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -81.99 -22.11 59.97 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-O 118.999 -0.889 . . . . 0.0 113.376 -177.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 67.4 mt -123.92 18.89 9.33 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.478 1.139 . . . . 0.0 112.955 -174.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -73.24 1.3 9.66 Favored 'General case' 0 N--CA 1.462 0.174 0 O-C-N 121.653 -0.654 . . . . 0.0 111.862 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 55.3 p-80 -92.62 -0.72 57.27 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.442 0.697 . . . . 0.0 111.828 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -75.55 162.64 28.12 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.053 0.454 . . . . 0.0 110.568 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 43.6 t -130.91 137.03 29.84 Favored Pre-proline 0 N--CA 1.452 -0.327 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 176.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.1 155.98 66.46 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.097 2.531 . . . . 0.0 111.597 -175.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 25.1 tp -140.28 149.99 43.5 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 90.3 mtp -127.7 166.01 18.94 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.269 0.557 . . . . 0.0 111.876 -173.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -77.03 -8.23 57.07 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.961 0.904 . . . . 0.0 111.484 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -149.2 158.0 43.82 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.413 0.685 . . . . 0.0 109.58 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -142.71 0.33 1.25 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.864 0.466 . . . . 0.0 111.389 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -144.53 144.92 31.56 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.901 -0.499 . . . . 0.0 110.667 -178.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -142.1 5.94 1.72 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.402 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 74.4 mtp85 -142.3 164.01 31.29 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 123.371 0.668 . . . . 0.0 110.219 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -138.27 1.85 2.24 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.231 0.613 . . . . 0.0 110.924 177.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 49.3 m -145.27 157.27 44.1 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.466 0.706 . . . . 0.0 110.496 -178.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 C--O 1.252 1.194 0 CA-C-O 117.267 -1.349 . . . . 0.0 110.913 179.728 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 38.8 pt . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 120.453 0.168 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -146.32 135.65 11.45 Favored Pre-proline 0 CA--C 1.537 0.448 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -71.03 160.69 48.5 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.508 2.805 . . . . 0.0 111.663 -178.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -147.29 160.87 42.0 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.156 0.583 . . . . 0.0 110.934 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 96.7 mt -127.95 12.91 6.76 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.804 0.841 . . . . 0.0 111.48 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -81.87 8.28 10.72 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.283 0.633 . . . . 0.0 112.123 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -72.07 161.54 30.76 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.881 0.473 . . . . 0.0 110.777 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 70.5 m -78.67 -7.84 58.08 Favored 'General case' 0 CA--C 1.527 0.09 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.3 tp -52.98 147.06 9.88 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.809 -0.557 . . . . 0.0 111.465 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 35.8 t -56.62 134.2 54.31 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 175.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -83.13 1.48 40.2 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -175.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 34.2 mm -124.92 -24.58 1.92 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.147 0 C-N-CA 122.759 0.424 . . . . 0.0 110.257 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 17.4 m -116.7 -28.05 6.49 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -173.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 12.8 p 37.05 42.61 0.26 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.273 1.429 . . . . 0.0 114.018 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 12.7 t -123.84 -10.24 7.75 Favored 'General case' 0 CA--C 1.527 0.069 0 C-N-CA 122.535 0.334 . . . . 0.0 111.092 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -150.14 155.98 37.48 Favored Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 123.534 0.734 . . . . 0.0 109.731 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -71.58 11.56 0.62 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 124.524 3.483 . . . . 0.0 112.859 -176.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 68.64 101.39 0.03 OUTLIER Glycine 0 CA--C 1.532 1.107 0 C-N-CA 123.556 0.598 . . . . 0.0 111.796 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -74.97 -10.53 21.31 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 123.138 2.559 . . . . 0.0 111.249 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -128.64 162.6 26.94 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.011 0.524 . . . . 0.0 111.989 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -143.25 159.9 41.46 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.265 1.026 . . . . 0.0 108.677 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 45.3 t -130.79 130.97 44.38 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 122.928 0.491 . . . . 0.0 109.676 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -87.29 -3.41 59.04 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -171.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -80.37 155.95 26.94 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.485 0.584 . . . . 0.0 111.334 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -73.76 -9.49 58.71 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -174.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 33.1 m -95.49 -8.25 9.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 118.165 0.439 . . . . 0.0 110.73 176.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 61.8 m -110.9 -73.46 0.68 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 27.0 t80 48.61 23.05 0.57 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.784 1.634 . . . . 0.0 114.269 175.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -142.67 168.33 19.97 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 123.091 0.557 . . . . 0.0 110.96 -177.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -81.42 146.1 30.45 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.102 176.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -150.15 175.78 11.43 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.502 0.721 . . . . 0.0 110.265 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 14.4 p -120.24 170.35 9.41 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.402 1.081 . . . . 0.0 109.155 177.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -63.14 -24.54 67.94 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 121.768 -0.583 . . . . 0.0 112.28 -174.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 72.7 m -70.02 -55.63 9.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 122.125 -0.359 . . . . 0.0 110.533 -177.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 15.2 p -80.85 -16.87 52.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.947 -176.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 19.9 t-105 -60.82 -45.84 92.88 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 171.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -78.8 -10.38 59.76 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 117.796 0.271 . . . . 0.0 111.594 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 45.7 m0 -85.42 -10.43 56.22 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.554 0.615 . . . . 0.0 111.617 174.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -126.41 -24.53 3.62 Favored 'General case' 0 C--O 1.225 -0.224 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -94.79 14.01 22.75 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.799 0.727 . . . . 0.0 112.473 -176.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 66.0 m -102.47 11.05 38.5 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.214 0.606 . . . . 0.0 112.121 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.3 ptp -115.4 154.56 29.0 Favored 'General case' 0 C--N 1.335 -0.059 0 C-N-CA 123.113 0.565 . . . . 0.0 110.169 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.94 -22.51 49.29 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 -172.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -79.46 -5.71 89.17 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-O 119.494 -0.615 . . . . 0.0 112.986 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.0 mp -139.66 3.78 2.1 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.169 0.985 . . . . 0.0 113.242 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -76.38 15.53 0.58 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 118.94 0.791 . . . . 0.0 112.012 178.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -122.9 7.98 9.33 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.093 0.557 . . . . 0.0 112.088 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -81.34 168.12 18.75 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.859 0.361 . . . . 0.0 110.75 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 78.6 p -127.48 144.82 52.28 Favored Pre-proline 0 N--CA 1.455 -0.217 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -74.58 156.57 44.91 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 123.613 2.875 . . . . 0.0 111.851 -176.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 17.2 tp -148.52 157.75 43.67 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 174.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 66.2 mtt -115.25 154.51 28.94 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.875 0.369 . . . . 0.0 110.977 -178.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -86.92 -12.65 47.05 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.154 0.582 . . . . 0.0 110.961 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -97.49 162.82 13.13 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.011 0.524 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -147.55 164.54 33.12 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 122.769 0.427 . . . . 0.0 110.48 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -91.72 0.04 57.52 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 122.955 0.502 . . . . 0.0 111.291 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 46.6 t30 54.83 33.81 20.6 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.985 0.914 . . . . 0.0 111.902 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 -136.19 154.96 50.79 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 124.06 0.944 . . . . 0.0 109.713 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -96.08 -2.78 45.95 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.008 0.523 . . . . 0.0 110.607 177.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 79.9 p -147.61 173.4 12.76 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.338 1.055 . . . . 0.0 109.836 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 C--O 1.25 1.096 0 CA-C-O 117.608 -1.187 . . . . 0.0 110.429 179.928 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 37.8 pt . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.491 0.186 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -146.1 150.35 41.61 Favored Pre-proline 0 CA--C 1.533 0.311 0 C-N-CA 123.023 0.529 . . . . 0.0 110.213 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -74.15 160.11 43.08 Favored 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 124.23 3.286 . . . . 0.0 111.619 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -78.91 165.58 23.34 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.997 0.519 . . . . 0.0 111.056 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 58.1 tp -145.85 135.67 23.45 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 177.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.456 ' HG3' ' H ' ' A' ' 433' ' ' SER . 9.9 tp10 -157.71 157.74 34.06 Favored 'General case' 0 N--CA 1.457 -0.083 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -72.76 -5.81 40.42 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.755 0.422 . . . . 0.0 111.252 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.456 ' H ' ' HG3' ' A' ' 431' ' ' GLU . 49.4 m -135.8 27.79 3.28 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.155 0.982 . . . . 0.0 110.532 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 17.1 tp -52.46 149.78 5.46 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.222 1.009 . . . . 0.0 110.841 -177.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 50.5 t -54.92 144.12 23.99 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.475 0.31 . . . . 0.0 110.188 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -95.15 -18.52 20.86 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -170.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 41.3 mm -103.6 -23.2 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 118.361 0.528 . . . . 0.0 111.302 -176.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 6.5 p -141.22 -16.16 0.84 Allowed 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -176.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 4.0 p 45.2 26.31 0.24 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.287 1.035 . . . . 0.0 113.362 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 64.7 m -90.67 -7.33 52.93 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.91 0.484 . . . . 0.0 111.791 -178.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . 0.41 ' C ' ' H ' ' A' ' 443' ' ' GLY . 55.9 mm-40 -141.1 158.93 63.42 Favored Pre-proline 0 CA--C 1.53 0.209 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 176.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -60.72 8.93 0.08 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.585 1 C-N-CA 125.427 4.085 . . . . 0.0 115.021 -178.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . 0.41 ' H ' ' C ' ' A' ' 441' ' ' GLN . . . 70.77 62.19 3.72 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -175.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -69.43 -10.58 29.19 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 124.009 3.139 . . . . 0.0 111.982 -173.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -133.43 156.73 47.18 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.069 0.462 . . . . 0.0 111.304 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -130.45 156.25 45.08 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.501 1.121 . . . . 0.0 109.447 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 19.3 t -120.85 139.38 53.25 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 32.1 ttp-105 -88.19 -19.72 26.52 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -168.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.98 157.74 24.13 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 118.49 0.586 . . . . 0.0 111.595 -175.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -74.48 -8.98 58.1 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -177.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 30.6 m -89.47 -11.69 10.11 Favored 'Isoleucine or valine' 0 C--N 1.338 0.079 0 CA-C-N 117.77 0.259 . . . . 0.0 111.111 177.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 67.5 m -112.1 -63.25 1.45 Allowed 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 175.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 19.4 t80 47.16 20.56 0.14 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.517 1.927 . . . . 0.0 115.754 173.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -142.03 175.93 9.35 Favored 'General case' 0 C--O 1.23 0.069 0 O-C-N 121.612 -0.68 . . . . 0.0 110.938 -177.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -87.4 149.87 24.18 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.85 0.46 . . . . 0.0 109.963 176.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -149.45 173.48 13.52 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.484 0.714 . . . . 0.0 110.1 -176.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 28.3 p -114.8 172.75 6.85 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 173.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -64.44 -26.72 68.57 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.52 -0.737 . . . . 0.0 111.76 -173.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 23.2 t -72.14 -50.94 23.89 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 117.667 0.212 . . . . 0.0 110.858 -176.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 15.2 p -82.92 -13.59 55.79 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 122.389 -0.194 . . . . 0.0 111.201 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -61.31 -40.92 95.95 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 169.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -72.48 -26.81 61.94 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.672 176.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.9 m0 -73.13 -11.66 60.62 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.651 0.66 . . . . 0.0 111.676 177.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 87.8 mmt-85 -120.72 -0.89 10.09 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -134.95 12.23 3.63 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.233 0.47 . . . . 0.0 112.219 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 63.8 p -76.92 -19.07 57.84 Favored 'General case' 0 C--O 1.232 0.139 0 O-C-N 121.939 -0.476 . . . . 0.0 110.922 175.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 20.5 ptp -77.03 150.37 35.79 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.364 0.666 . . . . 0.0 109.818 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.3 -8.74 57.46 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -174.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -85.91 -18.11 60.25 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-O 118.977 -0.902 . . . . 0.0 113.391 -176.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 59.2 mt -118.7 20.92 12.75 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.607 1.203 . . . . 0.0 112.189 -176.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -68.62 -5.35 19.5 Favored 'General case' 0 N--CA 1.461 0.111 0 O-C-N 121.853 -0.529 . . . . 0.0 112.189 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -91.0 -2.76 57.65 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.227 0.611 . . . . 0.0 112.397 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -77.15 156.25 31.75 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.17 0.441 . . . . 0.0 110.007 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 66.0 p -136.68 146.69 56.43 Favored Pre-proline 0 N--CA 1.456 -0.146 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 176.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -73.61 113.84 3.88 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 123.126 2.551 . . . . 0.0 111.786 -173.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 11.1 mp -94.15 174.47 7.13 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 170.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 477' ' ' MET . . . . . 0.402 ' C ' ' HD2' ' A' ' 478' ' ' ARG . 13.6 tpt 61.37 149.52 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.365 1.066 . . . . 0.0 112.244 -176.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . 0.402 ' HD2' ' C ' ' A' ' 477' ' ' MET . 3.0 mpt_? -139.58 168.08 20.63 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 123.224 0.61 . . . . 0.0 110.107 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -135.02 171.17 14.8 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.481 0.713 . . . . 0.0 110.837 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 57.41 179.51 0.05 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.592 1.157 . . . . 0.0 112.347 -177.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -74.79 164.67 26.32 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 122.643 0.377 . . . . 0.0 111.15 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -145.93 160.08 42.33 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.073 0.549 . . . . 0.0 109.735 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -73.92 150.6 40.75 Favored 'General case' 0 CA--C 1.526 0.051 0 C-N-CA 122.887 0.475 . . . . 0.0 109.997 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -147.97 155.75 41.89 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.275 0.63 . . . . 0.0 109.939 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 49.0 m -142.18 162.3 35.82 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.242 0.617 . . . . 0.0 110.863 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 C--O 1.251 1.138 0 CA-C-O 117.507 -1.235 . . . . 0.0 109.962 -179.556 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 51.3 mm . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -148.2 151.05 36.47 Favored Pre-proline 0 C--O 1.233 0.196 0 C-N-CA 122.737 0.415 . . . . 0.0 110.267 -178.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -73.03 159.16 48.4 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.783 2.989 . . . . 0.0 111.396 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -142.05 10.97 1.97 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.359 0.664 . . . . 0.0 111.406 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 96.4 mt -129.2 164.91 22.39 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.804 0.841 . . . . 0.0 110.415 -179.425 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -136.96 -17.17 1.41 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.663 0.385 . . . . 0.0 111.235 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -80.9 -4.83 56.26 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 122.013 -0.43 . . . . 0.0 111.167 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 74.2 p -85.37 -6.57 59.22 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.149 0.579 . . . . 0.0 111.019 178.35 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 30.4 tp -81.32 156.96 25.26 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.172 0.989 . . . . 0.0 109.046 178.59 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 42.1 t -56.26 137.86 51.42 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.404 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -84.24 -15.71 45.87 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -168.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 43.2 mm -115.84 -24.93 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 118.985 0.812 . . . . 0.0 112.113 -174.449 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 7.0 p -133.16 -18.12 2.32 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -176.442 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 5.6 p 44.47 30.29 0.48 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.266 1.027 . . . . 0.0 113.581 176.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 18.1 t -86.48 -16.97 35.42 Favored 'General case' 0 CA--C 1.528 0.13 0 O-C-N 122.218 -0.301 . . . . 0.0 111.408 -178.242 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . 0.418 ' C ' ' H ' ' A' ' 443' ' ' GLY . 6.7 pt20 -151.38 156.5 34.92 Favored Pre-proline 0 C--O 1.233 0.207 0 C-N-CA 123.875 0.87 . . . . 0.0 109.48 -179.374 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -68.86 21.53 0.14 Allowed 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 124.976 3.784 . . . . 0.0 113.978 -173.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 441' ' ' GLN . . . 67.5 94.32 0.04 OUTLIER Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.156 0.884 . . . . 0.0 112.424 176.354 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -74.27 -9.8 22.03 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 123.48 2.787 . . . . 0.0 111.35 176.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -133.68 161.29 35.06 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.22 0.608 . . . . 0.0 111.013 -179.662 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -141.45 154.64 45.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.964 0.905 . . . . 0.0 109.208 177.571 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 447' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 49.2 t -134.71 133.26 39.8 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 178.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -105.34 15.44 27.27 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -170.775 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.53 168.99 15.1 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 121.852 -0.53 . . . . 0.0 111.806 -179.053 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -69.34 -20.75 63.86 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.691 0.397 . . . . 0.0 110.832 178.453 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 24.9 m -100.84 -20.29 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 119.283 -0.389 . . . . 0.0 111.638 178.242 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 452' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 71.7 m -92.92 -83.47 0.31 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.272 0.487 . . . . 0.0 111.028 178.149 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 23.3 t80 53.07 22.91 2.71 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.107 1.363 . . . . 0.0 113.603 -179.636 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -143.99 173.64 11.54 Favored 'General case' 0 C--N 1.34 0.16 0 O-C-N 121.821 -0.549 . . . . 0.0 111.559 -177.687 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -84.91 150.53 24.9 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.49 0.716 . . . . 0.0 110.567 178.223 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -149.04 174.52 12.21 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.698 0.799 . . . . 0.0 109.662 -179.635 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 26.3 p -123.99 175.61 6.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.479 0.712 . . . . 0.0 109.532 176.473 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.99 -34.33 65.66 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -174.274 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 51.7 m -75.47 -53.48 8.6 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 122.198 -0.314 . . . . 0.0 111.061 -174.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 8.8 p -79.61 -17.56 53.57 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.831 -0.168 . . . . 0.0 111.393 -175.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -62.71 -45.89 90.64 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 170.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -77.98 -7.96 57.52 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 52.4 m0 -84.79 -18.26 35.57 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 118.518 0.599 . . . . 0.0 111.726 173.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -120.47 -21.47 6.8 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.366 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -100.52 8.7 43.34 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 118.687 0.676 . . . . 0.0 111.99 -177.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 73.3 p -86.99 -15.18 39.51 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 122.932 0.493 . . . . 0.0 111.752 177.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.5 ptp -94.65 156.33 16.47 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.055 0.542 . . . . 0.0 110.468 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -71.78 -8.06 51.96 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -173.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -80.41 -12.64 82.83 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.695 -0.503 . . . . 0.0 112.002 177.339 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.3 mp -137.6 11.01 2.94 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 117.908 0.854 . . . . 0.0 112.135 179.772 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -69.41 -4.85 20.21 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 121.721 -0.612 . . . . 0.0 112.492 -176.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -99.7 3.44 45.04 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.929 0.892 . . . . 0.0 112.223 -176.472 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -79.95 161.73 25.34 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 122.553 0.341 . . . . 0.0 110.556 -178.663 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 68.1 m -134.58 147.3 62.69 Favored Pre-proline 0 N--CA 1.456 -0.145 0 C-N-CA 123.183 0.593 . . . . 0.0 109.478 178.203 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.26 154.55 69.56 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 123.59 2.86 . . . . 0.0 111.399 -177.138 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 13.8 tp -145.95 162.51 37.65 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.21 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 64.6 mtt -130.96 161.19 32.47 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.005 0.431 . . . . 0.0 110.596 -177.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -79.41 -8.58 59.2 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.453 0.701 . . . . 0.0 111.005 -178.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -146.86 165.31 30.12 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.713 0.805 . . . . 0.0 110.398 -179.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -77.13 159.43 29.77 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.409 0.284 . . . . 0.0 110.307 178.227 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -144.6 149.99 36.71 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.015 0.526 . . . . 0.0 110.188 -178.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -116.4 164.5 14.45 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.654 0.782 . . . . 0.0 110.396 -178.279 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -143.84 156.82 44.6 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.058 0.543 . . . . 0.0 109.935 -178.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -79.22 -1.64 37.35 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.896 0.479 . . . . 0.0 112.106 -177.443 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 78.5 p -146.43 161.29 40.72 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.191 0.596 . . . . 0.0 110.604 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 C--O 1.251 1.173 0 CA-C-O 117.697 -1.144 . . . . 0.0 110.527 -178.441 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 65.6 mt . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -145.51 134.55 11.17 Favored Pre-proline 0 N--CA 1.451 -0.409 0 C-N-CA 123.484 0.714 . . . . 0.0 109.188 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -71.52 160.23 49.03 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.618 2.879 . . . . 0.0 111.872 -177.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -142.63 4.3 1.52 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.125 0.57 . . . . 0.0 111.224 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 47.4 tp -69.64 -21.01 63.58 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.796 -0.565 . . . . 0.0 110.635 -178.286 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.73 0.8 16.55 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.33 0.252 . . . . 0.0 111.463 179.416 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -114.06 4.47 15.68 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.555 0.742 . . . . 0.0 110.938 177.527 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 50.8 m -138.78 3.34 2.25 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 123.238 0.615 . . . . 0.0 111.752 -179.285 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 25.1 tp -145.96 157.57 43.88 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.427 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 42.2 t -60.18 145.9 45.38 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.568 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -97.09 -12.68 22.88 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -171.383 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 45.2 mm -108.16 -27.15 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 118.326 0.512 . . . . 0.0 111.159 -176.678 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 10.7 p -136.01 -18.38 1.58 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 118.888 -0.577 . . . . 0.0 112.459 -176.324 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 5.9 p 43.25 27.87 0.14 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.495 1.118 . . . . 0.0 113.434 179.27 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 58.9 m -93.94 -10.83 32.45 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.255 0.622 . . . . 0.0 110.224 179.374 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -139.34 160.83 60.37 Favored Pre-proline 0 N--CA 1.448 -0.575 0 C-N-CA 123.467 0.707 . . . . 0.0 109.423 -177.636 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -59.68 -2.85 1.69 Allowed 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 124.827 3.684 . . . . 0.0 115.329 -172.831 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 67.69 58.11 8.1 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.436 -1.065 . . . . 0.0 110.436 -176.668 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -72.56 -8.02 21.84 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 124.099 3.199 . . . . 0.0 112.312 -173.428 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -125.41 162.25 25.24 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.849 0.357 . . . . 0.0 111.659 -177.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -147.29 146.54 29.77 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.129 0.972 . . . . 0.0 108.913 177.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 5.1 t -113.03 158.05 20.78 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 122.498 0.319 . . . . 0.0 111.009 -177.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -129.96 61.11 1.58 Allowed 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 122.958 0.503 . . . . 0.0 111.595 -172.081 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -132.97 178.23 7.04 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.033 0.444 . . . . 0.0 111.271 177.145 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -82.86 -18.35 40.62 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.244 0.618 . . . . 0.0 109.921 177.156 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 20.1 m -100.89 -21.14 5.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 119.384 -0.341 . . . . 0.0 111.593 179.207 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 4.3 p -140.81 123.5 16.16 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.109 0.413 . . . . 0.0 109.919 172.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -149.61 32.38 0.71 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.299 0.64 . . . . 0.0 110.713 -175.348 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -123.9 179.04 4.98 Favored 'General case' 0 N--CA 1.458 -0.059 0 C-N-CA 123.87 0.868 . . . . 0.0 109.897 -178.301 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -85.1 147.87 26.42 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.147 175.638 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -145.61 173.41 12.08 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.504 0.722 . . . . 0.0 109.916 -176.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 27.7 p -126.12 176.18 7.22 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.558 1.143 . . . . 0.0 108.296 174.593 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -58.85 -31.83 68.88 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 121.82 -0.55 . . . . 0.0 111.721 -172.328 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 19.5 t -72.61 -51.02 21.44 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 122.355 -0.215 . . . . 0.0 111.316 -174.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 7.7 p -84.18 -17.61 39.4 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 119.676 -0.202 . . . . 0.0 111.451 -177.193 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 49.5 t-105 -63.29 -38.45 91.21 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 171.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -74.96 -26.66 59.76 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.013 177.049 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -69.16 -16.84 63.73 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.817 0.735 . . . . 0.0 111.504 176.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 27.6 mmt85 -115.19 -6.13 12.43 Favored 'General case' 0 C--N 1.34 0.168 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -135.2 11.65 3.55 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -175.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 73.8 p -75.0 -17.7 60.49 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-N 118.376 0.534 . . . . 0.0 110.96 175.547 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 21.9 ptp -83.31 151.0 25.78 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.633 0.773 . . . . 0.0 110.842 -179.683 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -76.4 -4.95 45.09 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -178.063 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -81.32 -21.99 61.45 Favored Glycine 0 C--N 1.338 0.666 0 CA-C-O 119.211 -0.772 . . . . 0.0 112.636 179.381 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 79.1 mt -127.79 15.59 6.93 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 117.911 0.856 . . . . 0.0 111.809 -177.405 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -69.3 -1.4 8.06 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -178.611 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 -88.85 -6.02 57.63 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.171 0.588 . . . . 0.0 112.011 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -74.57 158.78 33.11 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.185 0.517 . . . . 0.0 110.96 178.612 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 61.2 p -141.83 140.12 19.42 Favored Pre-proline 0 N--CA 1.453 -0.287 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 175.526 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -74.79 142.59 28.77 Favored 'Trans proline' 0 N--CA 1.45 -1.079 0 C-N-CA 123.034 2.489 . . . . 0.0 111.795 -175.115 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 10.6 mp -107.72 155.92 19.66 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 173.045 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 27.4 ttt -110.64 -14.37 14.06 Favored 'General case' 0 C--O 1.231 0.085 0 C-N-CA 122.368 0.267 . . . . 0.0 111.498 -178.598 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -159.87 148.29 17.27 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 122.575 0.35 . . . . 0.0 110.25 -178.482 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -118.68 158.79 24.83 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.538 0.735 . . . . 0.0 109.815 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -141.25 162.6 35.1 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.952 0.501 . . . . 0.0 110.366 -179.295 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -139.97 166.88 23.46 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.545 0.738 . . . . 0.0 109.849 -179.567 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -69.87 153.44 43.29 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.626 0.371 . . . . 0.0 110.156 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -81.7 -8.16 59.67 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.208 0.603 . . . . 0.0 110.978 -178.195 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -141.52 170.52 15.56 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.004 0.922 . . . . 0.0 109.363 -179.762 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 49.9 m -63.57 153.24 36.39 Favored 'General case' 0 C--O 1.231 0.085 0 C-N-CA 122.496 0.318 . . . . 0.0 111.247 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 C--O 1.249 1.078 0 C-N-CA 124.087 0.955 . . . . 0.0 111.487 -178.297 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 38.7 pt . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 120.342 0.115 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -140.69 153.53 68.03 Favored Pre-proline 0 N--CA 1.456 -0.137 0 C-N-CA 123.241 0.616 . . . . 0.0 109.952 -179.061 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -71.15 166.09 30.32 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.804 3.003 . . . . 0.0 110.944 178.372 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -138.59 10.51 2.69 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 123.146 0.578 . . . . 0.0 111.198 -179.122 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 95.8 mt -129.53 161.84 29.54 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.759 0.823 . . . . 0.0 110.122 -178.469 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -81.7 161.98 23.17 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 122.854 0.462 . . . . 0.0 111.106 -177.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -80.26 5.97 13.19 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 122.918 0.487 . . . . 0.0 111.364 179.239 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 77.8 p -118.93 18.58 13.22 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.22 1.008 . . . . 0.0 111.123 -179.259 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 16.8 tp -141.51 154.65 45.63 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.813 0.845 . . . . 0.0 108.831 -179.747 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 38.4 t -63.13 149.51 45.05 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.652 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -101.71 -15.24 17.06 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -172.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 46.0 mm -99.52 -26.76 3.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 CA-C-N 118.329 0.513 . . . . 0.0 110.978 -178.02 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 7.9 p -141.42 -14.53 0.86 Allowed 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -176.069 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 3.9 p 44.97 28.11 0.34 Allowed 'General case' 0 C--N 1.342 0.262 0 C-N-CA 124.211 1.004 . . . . 0.0 113.652 179.002 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 23.0 t -85.94 -21.01 28.12 Favored 'General case' 0 CA--C 1.527 0.064 0 O-C-N 121.773 -0.579 . . . . 0.0 111.189 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . 0.407 ' C ' ' H ' ' A' ' 443' ' ' GLY . 35.0 mm-40 -130.6 163.01 51.4 Favored Pre-proline 0 N--CA 1.453 -0.298 0 C-N-CA 123.575 0.75 . . . . 0.0 109.832 -179.016 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -61.51 15.56 0.05 OUTLIER 'Trans proline' 0 CA--C 1.536 0.59 1 C-N-CA 125.637 4.225 . . . . 0.0 115.237 -178.629 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 441' ' ' GLN . . . 60.48 58.7 12.57 Favored Glycine 0 C--N 1.337 0.626 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 -177.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -70.44 -8.75 24.35 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 123.998 3.132 . . . . 0.0 112.03 -173.774 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -130.17 157.8 41.44 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.295 0.569 . . . . 0.0 111.385 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -146.86 155.71 42.54 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.66 1.184 . . . . 0.0 107.951 176.342 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 6.4 t -127.29 147.38 50.24 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -124.64 71.91 1.18 Allowed 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.2 0.6 . . . . 0.0 110.026 -177.577 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -130.21 178.08 6.84 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.754 179.286 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 10.2 pm0 -86.97 2.27 50.02 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 122.668 0.387 . . . . 0.0 111.54 177.596 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 32.8 m -120.48 -21.36 4.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-N 118.089 0.404 . . . . 0.0 111.496 175.309 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 8.2 p -140.07 136.56 33.76 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.311 0.505 . . . . 0.0 110.335 174.231 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -151.01 35.1 0.59 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.382 -175.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -130.91 176.55 8.14 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 122.993 0.517 . . . . 0.0 110.782 -175.384 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -85.95 149.59 25.09 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.796 178.037 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -147.49 174.33 11.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.771 0.828 . . . . 0.0 109.973 -178.168 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 27.1 p -127.6 177.05 7.04 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.929 1.292 . . . . 0.0 108.167 175.267 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -58.84 -31.44 68.5 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.904 -0.497 . . . . 0.0 111.358 -174.289 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 57.9 m -72.08 -55.18 7.79 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 117.601 0.182 . . . . 0.0 111.472 -176.891 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 460' ' ' CYS . . . . . 0.418 ' HA ' ' CD2' ' A' ' 463' ' ' TRP . 13.9 p -81.75 -19.74 40.74 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 -174.89 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -61.41 -45.46 94.22 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 171.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -75.78 -15.06 60.31 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 119.408 -0.33 . . . . 0.0 111.736 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 463' ' ' TRP . . . . . 0.418 ' CD2' ' HA ' ' A' ' 460' ' ' CYS . 53.7 m0 -73.14 -23.07 60.42 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.812 0.733 . . . . 0.0 111.321 175.41 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -121.63 -21.0 6.32 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -179.767 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -100.79 10.79 40.7 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.871 0.759 . . . . 0.0 112.479 -178.192 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 16.8 t -100.34 10.81 40.68 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 122.658 0.383 . . . . 0.0 111.118 178.016 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.4 ptp -115.2 159.89 20.39 Favored 'General case' 0 C--O 1.227 -0.089 0 C-N-CA 123.321 0.648 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -60.55 -18.65 53.83 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.406 0.682 . . . . 0.0 112.378 -174.293 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -82.89 -14.94 74.05 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 119.026 -0.875 . . . . 0.0 113.797 -177.085 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.1 mp -142.11 5.96 1.72 Allowed 'General case' 0 C--N 1.342 0.241 0 CA-C-N 118.798 1.299 . . . . 0.0 113.474 -178.321 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -67.3 -3.35 7.77 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 119.064 0.847 . . . . 0.0 112.59 -177.537 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -97.57 -0.67 45.42 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.973 0.909 . . . . 0.0 111.971 -178.467 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -77.47 167.31 21.86 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 121.054 0.454 . . . . 0.0 110.908 -179.549 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 49.1 m -135.07 146.95 60.54 Favored Pre-proline 0 N--CA 1.455 -0.179 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 177.206 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -69.31 157.66 60.44 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.468 2.779 . . . . 0.0 111.653 -177.261 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 15.2 tp -142.62 157.11 45.03 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.533 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 89.4 mtp -137.25 160.44 39.01 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 121.126 0.488 . . . . 0.0 111.109 -176.813 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -76.38 160.95 29.1 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.773 0.829 . . . . 0.0 110.679 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -77.74 160.8 28.17 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.107 179.308 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -80.39 -4.48 53.78 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.541 0.336 . . . . 0.0 111.865 -177.493 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -138.4 163.44 31.88 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 123.372 0.669 . . . . 0.0 110.542 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -114.31 172.33 7.08 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.857 0.863 . . . . 0.0 109.843 -179.485 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -73.56 4.92 4.29 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.082 0.553 . . . . 0.0 111.978 -179.223 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -123.84 5.49 8.74 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.928 0.891 . . . . 0.0 110.607 179.076 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 49.0 m -83.36 -0.6 50.52 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.878 0.471 . . . . 0.0 111.917 -179.504 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 55.5 m . . . . . 0 C--O 1.252 1.206 0 CA-C-O 117.242 -1.361 . . . . 0.0 110.384 -179.024 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 37.9 pt . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 110.707 -0.109 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -140.21 159.04 65.44 Favored Pre-proline 0 CA--C 1.529 0.163 0 C-N-CA 123.371 0.669 . . . . 0.0 110.552 -178.682 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -56.19 155.82 22.96 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.698 2.932 . . . . 0.0 112.692 178.6 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -149.89 168.87 22.53 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.793 0.837 . . . . 0.0 110.254 179.344 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 95.9 mt -131.8 165.75 23.1 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.999 0.92 . . . . 0.0 109.732 179.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -127.69 13.77 6.95 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.345 0.658 . . . . 0.0 111.063 -178.467 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 54.41 22.14 3.64 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.252 1.021 . . . . 0.0 112.811 -178.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 87.4 p -123.94 7.25 8.65 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 123.699 0.8 . . . . 0.0 111.365 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -82.67 176.27 9.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.196 0.598 . . . . 0.0 110.485 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 23.1 t -53.05 136.24 35.74 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 169.609 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -69.37 -13.02 62.15 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -173.417 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 40.1 mm -123.24 -27.68 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 118.099 0.409 . . . . 0.0 111.431 -176.145 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.9 m -103.56 -22.04 13.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -172.888 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 20.9 p 35.27 51.59 0.61 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.142 1.377 . . . . 0.0 113.975 177.092 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 38.4 t -133.7 -26.51 1.58 Allowed 'General case' 0 CA--C 1.525 -0.019 0 C-N-CA 122.288 0.235 . . . . 0.0 111.523 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -137.2 161.65 59.92 Favored Pre-proline 0 N--CA 1.451 -0.417 0 C-N-CA 123.995 0.918 . . . . 0.0 108.672 -178.329 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -61.78 -7.43 9.29 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 124.078 3.186 . . . . 0.0 113.04 179.255 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 78.07 120.7 0.24 Allowed Glycine 0 CA--C 1.529 0.907 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -176.909 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -75.32 -10.59 20.77 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.461 2.774 . . . . 0.0 111.677 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -136.56 163.68 29.97 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-O 121.392 0.615 . . . . 0.0 111.53 -178.197 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -137.24 151.45 48.73 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.475 1.11 . . . . 0.0 108.409 176.513 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 447' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 14.0 t -123.5 130.84 53.28 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -179.083 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -129.71 89.72 2.87 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.546 0.738 . . . . 0.0 110.173 -173.779 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . 0.41 ' CG ' ' H ' ' A' ' 450' ' ' GLN . 14.6 t70 -136.75 -172.57 3.2 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.041 177.003 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . 0.41 ' H ' ' CG ' ' A' ' 449' ' ' ASP . 64.4 tt0 -69.9 -12.31 61.52 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 122.663 0.385 . . . . 0.0 110.259 177.295 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 28.3 m -127.49 -11.88 3.79 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 123.008 0.523 . . . . 0.0 112.052 179.093 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 452' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 96.7 m -111.17 135.99 50.88 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.332 0.515 . . . . 0.0 110.499 178.294 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -157.95 24.54 0.26 Allowed 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 111.537 0.199 . . . . 0.0 111.537 179.611 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -137.89 171.76 13.95 Favored 'General case' 0 C--O 1.228 -0.037 0 O-C-N 121.824 -0.547 . . . . 0.0 111.521 -174.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -81.44 152.09 27.57 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.214 0.606 . . . . 0.0 111.053 178.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -149.63 176.08 10.98 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 123.892 0.877 . . . . 0.0 109.819 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 23.1 p -131.05 174.24 10.21 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.443 1.097 . . . . 0.0 108.825 175.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -57.79 -37.56 73.94 Favored 'General case' 0 N--CA 1.461 0.081 0 O-C-N 122.088 -0.383 . . . . 0.0 111.976 -172.319 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 74.8 m -66.91 -49.69 64.79 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -176.475 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 25.3 p -87.57 -15.68 36.73 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -175.554 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -61.4 -41.21 96.77 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 171.827 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -74.96 -29.51 60.94 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.826 177.828 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -69.1 -10.1 55.94 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.624 -0.673 . . . . 0.0 111.177 176.502 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -122.44 -4.82 8.8 Favored 'General case' 0 C--N 1.34 0.169 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 179.218 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -141.29 2.93 1.71 Allowed 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -175.26 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 47.6 t -72.95 -23.88 60.73 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 118.769 0.713 . . . . 0.0 111.482 -178.627 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.88 158.08 18.8 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.964 0.412 . . . . 0.0 110.311 178.826 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.98 -2.01 13.93 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -176.391 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -73.98 -27.94 65.59 Favored Glycine 0 CA--C 1.524 0.632 0 CA-C-O 119.05 -0.861 . . . . 0.0 112.28 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 91.6 mt -137.24 22.13 2.99 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 118.278 1.039 . . . . 0.0 111.542 -178.573 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -68.72 -1.84 7.89 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -177.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 53.9 p-80 -87.52 -3.98 58.99 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.23 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -77.33 156.06 31.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.968 0.349 . . . . 0.0 110.778 178.367 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 65.8 m -137.6 141.63 34.04 Favored Pre-proline 0 N--CA 1.456 -0.162 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 176.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -62.62 142.59 90.3 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 123.065 2.51 . . . . 0.0 113.204 -177.035 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -114.85 160.5 19.4 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 169.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 91.6 mtp -138.73 152.3 47.85 Favored 'General case' 0 C--O 1.23 0.075 0 C-N-CA 122.511 0.324 . . . . 0.0 110.451 179.761 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 55.6 ttt-85 -151.4 155.39 38.54 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 123.52 0.728 . . . . 0.0 109.368 -179.408 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -86.48 23.16 1.68 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.074 0.55 . . . . 0.0 111.555 -179.284 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 50.27 15.94 0.23 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.78 1.632 . . . . 0.0 113.801 -173.798 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -154.33 167.97 28.19 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.937 0.895 . . . . 0.0 109.615 175.487 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -85.56 154.62 21.61 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.557 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -92.46 3.92 54.51 Favored 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 122.827 0.451 . . . . 0.0 111.707 -177.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -86.28 -3.84 59.06 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.025 0.53 . . . . 0.0 110.904 177.716 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 69.2 m -139.4 164.54 29.58 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 123.57 0.748 . . . . 0.0 110.483 -178.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 C--O 1.252 1.202 0 CA-C-O 117.337 -1.316 . . . . 0.0 110.938 179.475 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 40.3 pt . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 120.335 0.112 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -147.25 138.54 13.23 Favored Pre-proline 0 CA--C 1.534 0.339 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.798 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.59 -7.24 19.96 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 123.516 2.81 . . . . 0.0 112.64 -177.282 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 32.3 t80 56.72 19.96 4.74 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.339 1.056 . . . . 0.0 113.379 -179.4 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 96.9 mt -86.12 159.1 19.63 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.969 -0.457 . . . . 0.0 110.646 177.306 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -150.28 155.48 39.77 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.298 0.639 . . . . 0.0 109.465 179.628 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -146.28 156.75 43.59 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.51 0.324 . . . . 0.0 110.809 -179.434 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.8 t -148.22 1.24 0.63 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.524 0.73 . . . . 0.0 111.154 -179.385 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 32.4 tp -69.07 155.94 39.51 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.12 0.568 . . . . 0.0 109.826 -178.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 37.8 t -58.14 143.38 44.14 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.226 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -106.48 2.81 26.57 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -174.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 51.8 mm -109.68 -25.73 3.48 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-N 117.957 0.344 . . . . 0.0 110.38 178.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 7.8 p -145.3 -20.47 0.48 Allowed 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -177.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 6.8 p 46.25 25.95 0.41 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 65.0 m -95.37 -7.76 37.58 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 122.037 -0.414 . . . . 0.0 111.626 -179.174 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -134.18 160.87 66.85 Favored Pre-proline 0 N--CA 1.454 -0.267 0 C-N-CA 124.178 0.991 . . . . 0.0 108.469 177.045 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -59.35 1.5 0.35 Allowed 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 124.915 3.743 . . . . 0.0 115.354 -173.308 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 66.84 56.85 11.07 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 -177.308 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -72.36 -8.7 23.13 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 124.005 3.136 . . . . 0.0 112.076 -173.567 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -127.47 155.07 44.29 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.046 0.45 . . . . 0.0 111.927 -177.708 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -148.22 151.48 35.56 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.995 0.918 . . . . 0.0 108.81 176.758 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 6.9 t -129.56 156.34 44.33 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.523 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 17.9 ptm180 -114.96 5.23 14.98 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -169.514 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -86.96 159.19 19.09 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 118.427 0.558 . . . . 0.0 111.205 178.85 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -71.31 -4.94 28.74 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.838 0.455 . . . . 0.0 111.865 -175.575 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 35.5 m -106.11 -5.65 10.03 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 C-N-CA 122.821 0.448 . . . . 0.0 111.644 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 6.9 p -153.44 42.51 0.57 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.914 0.486 . . . . 0.0 110.548 178.585 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -71.48 31.0 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.478 1.111 . . . . 0.0 113.171 -177.768 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -128.5 177.62 6.87 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.595 0.758 . . . . 0.0 111.296 -174.367 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -88.44 151.33 22.63 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.724 0.41 . . . . 0.0 110.437 175.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -146.4 172.92 12.78 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.488 0.661 . . . . 0.0 110.763 -177.134 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 13.6 p -131.03 179.07 6.22 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.216 1.406 . . . . 0.0 107.598 174.165 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -57.91 -34.15 69.52 Favored 'General case' 0 CA--C 1.529 0.136 0 O-C-N 121.631 -0.668 . . . . 0.0 112.029 -171.608 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 69.6 m -71.81 -46.87 56.71 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -175.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 460' ' ' CYS . . . . . 0.433 ' HA ' ' HB3' ' A' ' 463' ' ' TRP . 8.3 p -90.56 -16.69 28.32 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 122.225 0.21 . . . . 0.0 111.561 -175.529 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -67.21 -46.66 73.2 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 173.333 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -72.53 -25.63 61.45 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.21 178.797 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 463' ' ' TRP . . . . . 0.433 ' HB3' ' HA ' ' A' ' 460' ' ' CYS . 72.7 t90 -67.84 -19.2 65.02 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 122.251 -0.281 . . . . 0.0 111.002 176.186 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.1 tpp85 -112.96 -21.31 11.18 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -120.02 1.77 10.92 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -173.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 466' ' ' SER . . . . . 0.442 ' HA ' ' HE ' ' A' ' 471' ' ' ARG . 8.2 t -100.11 7.65 44.46 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.964 0.802 . . . . 0.0 111.975 179.518 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 467' ' ' MET . . . . . 0.408 ' C ' ' H ' ' A' ' 469' ' ' GLY . 23.1 ptp -87.33 17.46 4.4 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 122.986 0.514 . . . . 0.0 111.66 178.813 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 61.66 -8.49 0.09 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.895 1.678 . . . . 0.0 113.97 179.783 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 467' ' ' MET . . . -84.22 -22.81 53.68 Favored Glycine 0 CA--C 1.523 0.568 0 CA-C-O 119.252 -0.749 . . . . 0.0 112.658 -179.027 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 78.5 mt -126.27 22.31 7.19 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 118.057 0.928 . . . . 0.0 111.691 -177.026 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . 0.442 ' HE ' ' HA ' ' A' ' 466' ' ' SER . 21.8 mmt85 -67.38 -2.03 5.61 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 121.844 -0.535 . . . . 0.0 112.396 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -89.93 -3.69 57.9 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.006 0.522 . . . . 0.0 111.758 177.839 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 43.1 m170 -79.39 165.23 23.33 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.769 0.427 . . . . 0.0 110.63 177.624 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 40.8 t -141.16 137.63 17.0 Favored Pre-proline 0 N--CA 1.453 -0.29 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 175.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -73.35 141.67 32.29 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 122.996 2.464 . . . . 0.0 111.899 -176.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 10.7 mp -104.5 161.88 13.72 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.908 0.883 . . . . 0.0 109.062 174.611 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -145.29 172.0 13.77 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 122.784 0.434 . . . . 0.0 110.232 -179.439 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -128.81 158.92 37.33 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.291 0.636 . . . . 0.0 109.889 179.797 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -140.47 13.07 2.35 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 123.336 0.654 . . . . 0.0 111.686 -179.316 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -86.26 1.1 52.12 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.896 0.478 . . . . 0.0 111.56 -178.851 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -145.28 150.53 36.82 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.186 0.594 . . . . 0.0 109.654 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -147.24 159.84 43.18 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.88 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -78.69 160.79 27.31 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.035 0.534 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -138.89 7.14 2.47 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 122.985 0.514 . . . . 0.0 111.789 -179.287 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 58.4 m -141.12 159.42 42.24 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 123.191 0.596 . . . . 0.0 110.682 -179.486 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 79.9 p . . . . . 0 C--O 1.249 1.031 0 CA-C-O 117.084 -1.436 . . . . 0.0 110.873 179.333 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 37.1 pt . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.744 0.307 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -76.68 152.39 83.04 Favored Pre-proline 0 C--O 1.235 0.291 0 C-N-CA 122.333 0.253 . . . . 0.0 110.668 179.452 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -71.61 164.48 35.58 Favored 'Trans proline' 0 N--CA 1.449 -1.088 0 C-N-CA 123.761 2.974 . . . . 0.0 111.651 179.558 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -83.1 -10.07 58.88 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 122.494 0.317 . . . . 0.0 111.2 -179.191 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -150.57 166.7 29.45 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.208 0.603 . . . . 0.0 111.08 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -138.29 161.06 37.88 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.015 0.526 . . . . 0.0 109.951 -179.69 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 39.3 t70 -78.38 -1.87 35.49 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.626 0.37 . . . . 0.0 111.497 -179.11 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 38.2 m -125.3 15.52 8.34 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.589 0.756 . . . . 0.0 110.966 179.344 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 29.1 tp -65.73 152.87 43.28 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.793 0.837 . . . . 0.0 109.707 -179.442 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 38.5 t -55.76 140.77 40.81 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 176.908 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -99.87 -9.8 22.47 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -172.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 38.8 mm -100.08 -25.79 3.81 Favored 'Isoleucine or valine' 0 C--O 1.23 0.057 0 CA-C-N 117.958 0.344 . . . . 0.0 110.887 -178.087 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 12.4 p -144.18 -18.08 0.57 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -176.362 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 7.3 p 43.97 27.18 0.17 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.586 1.154 . . . . 0.0 113.588 178.748 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 68.7 m -96.72 -6.33 36.62 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.866 0.466 . . . . 0.0 112.002 -178.483 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -135.97 159.51 70.84 Favored Pre-proline 0 N--CA 1.454 -0.228 0 C-N-CA 124.32 1.048 . . . . 0.0 108.678 176.26 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -60.87 3.55 0.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 125.085 3.856 . . . . 0.0 115.247 -173.532 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 69.38 58.81 6.21 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.026 -1.229 . . . . 0.0 110.026 -176.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -70.54 -8.88 24.63 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 123.853 3.036 . . . . 0.0 112.246 -174.307 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -133.45 159.29 40.78 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.128 0.49 . . . . 0.0 112.048 -179.19 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -140.25 157.13 46.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.53 1.132 . . . . 0.0 108.207 173.49 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 447' ' ' CYS . . . . . 0.419 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 21.5 t -136.73 133.39 36.02 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -178.728 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -125.82 87.56 2.71 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.684 0.794 . . . . 0.0 109.799 -174.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -136.14 -179.42 5.66 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.201 178.859 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -70.87 -2.72 15.9 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 122.235 -0.291 . . . . 0.0 111.338 176.239 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 17.1 m -134.45 -2.45 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 123.994 0.918 . . . . 0.0 111.465 176.072 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 452' ' ' CYS . . . . . 0.419 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 89.3 m -121.6 135.02 55.01 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 118.264 0.484 . . . . 0.0 110.838 177.574 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 453' ' ' PHE . . . . . 0.425 ' CZ ' ' HE3' ' A' ' 454' ' ' LYS . 39.9 p90 -158.26 25.42 0.25 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.498 0.319 . . . . 0.0 111.069 179.281 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . 0.425 ' HE3' ' CZ ' ' A' ' 453' ' ' PHE . 98.0 mttt -133.37 167.61 20.11 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 122.8 0.44 . . . . 0.0 112.081 -172.144 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -85.91 150.58 24.41 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.623 172.629 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -147.67 172.07 14.64 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.205 0.602 . . . . 0.0 110.713 -177.474 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 20.8 p -128.0 173.49 10.0 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.96 1.304 . . . . 0.0 107.698 173.451 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 53.4 ptt85 -60.01 -27.04 66.55 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.5 -0.75 . . . . 0.0 112.347 -171.692 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 19.4 t -74.95 -52.57 10.84 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 117.852 0.297 . . . . 0.0 111.006 -175.587 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 14.1 p -82.0 -17.28 47.43 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 122.267 0.227 . . . . 0.0 111.236 -178.734 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -62.69 -42.04 99.43 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 172.332 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -73.11 -24.45 60.63 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.996 178.32 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.0 m0 -72.44 -14.72 61.76 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.616 0.643 . . . . 0.0 111.478 175.594 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -123.77 -4.97 8.09 Favored 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -176.253 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -133.08 6.9 3.94 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -176.504 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 56.0 m -101.1 7.19 43.4 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-N 118.15 0.432 . . . . 0.0 111.147 175.304 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.5 ptp -103.39 158.14 16.55 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.084 0.553 . . . . 0.0 110.16 177.513 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -64.86 -11.33 36.26 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -174.01 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -87.71 -16.34 60.11 Favored Glycine 0 CA--C 1.528 0.858 0 CA-C-O 118.898 -0.946 . . . . 0.0 113.311 -178.043 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . 0.405 ' C ' ' H ' ' A' ' 472' ' ' HIS . 4.3 mp -142.16 15.55 2.06 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.681 1.241 . . . . 0.0 112.646 -177.447 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 16.02 0.09 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -177.328 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 472' ' ' HIS . . . . . 0.405 ' H ' ' C ' ' A' ' 470' ' ' LEU . 39.5 p-80 -124.11 4.43 8.58 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.87 0.868 . . . . 0.0 112.077 -174.447 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -82.28 166.21 19.73 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 121.259 0.552 . . . . 0.0 111.311 179.782 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 77.7 p -140.2 152.27 66.74 Favored Pre-proline 0 C--O 1.233 0.222 0 C-N-CA 124.158 0.983 . . . . 0.0 109.25 177.564 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -64.71 148.17 90.11 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 123.392 2.728 . . . . 0.0 111.132 -176.469 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 52.7 tp -145.66 154.26 41.92 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.958 0.903 . . . . 0.0 109.166 -177.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 44.1 tpp -153.6 -23.94 0.14 Allowed 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 122.252 0.221 . . . . 0.0 111.487 176.619 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 64.2 ttm-85 -157.15 153.74 28.19 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -178.769 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -145.61 159.74 42.69 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.309 0.644 . . . . 0.0 109.335 179.565 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -148.27 160.83 42.56 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 122.929 0.492 . . . . 0.0 110.877 -178.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -135.51 148.55 49.22 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.284 0.633 . . . . 0.0 109.839 177.843 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -152.83 167.11 30.15 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 122.804 0.441 . . . . 0.0 110.506 -178.732 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 22.0 tpp85 -148.27 148.4 30.41 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.78 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -140.47 7.44 2.15 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 122.975 0.51 . . . . 0.0 111.194 -179.283 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 22.2 m -82.31 -1.84 50.87 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 122.776 0.43 . . . . 0.0 111.84 -178.688 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 77.6 p . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.9 179.544 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 13.4 tp . . . . . 0 N--CA 1.448 -0.566 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.453 ' CB ' ' SG ' ' A' ' 438' ' ' CYS . 73.4 m -56.39 137.53 52.63 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 171.086 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -93.57 2.01 56.52 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 15.6 mm -120.61 -35.63 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-O 119.528 -0.272 . . . . 0.0 111.088 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.453 ' SG ' ' CB ' ' A' ' 435' ' ' CYS . 31.0 p -115.26 -24.47 8.45 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.178 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 12.9 p 39.89 33.8 0.15 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.813 1.245 . . . . 0.0 113.216 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 69.9 m -115.92 -3.47 12.15 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.931 0.492 . . . . 0.0 111.769 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -134.76 158.02 75.92 Favored Pre-proline 0 N--CA 1.453 -0.291 0 C-N-CA 123.412 0.685 . . . . 0.0 109.49 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -61.83 -2.17 2.64 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 124.71 3.607 . . . . 0.0 114.52 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 66.51 60.07 6.6 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 109.962 -1.255 . . . . 0.0 109.962 -174.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -72.76 -8.46 22.44 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 124.136 3.224 . . . . 0.0 112.299 -173.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -129.55 163.37 26.12 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.785 0.434 . . . . 0.0 111.059 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -141.26 147.4 38.19 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.23 0.612 . . . . 0.0 109.564 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 17.4 t -111.33 128.43 55.95 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -90.17 -11.88 39.83 Favored 'General case' 0 CA--C 1.527 0.066 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -170.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.7 154.27 40.78 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.95 -0.468 . . . . 0.0 111.023 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -72.71 -9.38 58.57 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.923 0.489 . . . . 0.0 112.142 -173.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 23.3 m -99.0 -4.28 9.46 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 C-N-CA 122.337 0.255 . . . . 0.0 111.222 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 62.9 m -118.13 -67.07 1.02 Allowed 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 20.4 t80 45.57 31.32 0.91 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.633 1.573 . . . . 0.0 114.637 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -141.71 169.82 16.88 Favored 'General case' 0 C--O 1.231 0.12 0 O-C-N 121.909 -0.494 . . . . 0.0 111.443 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -83.09 147.97 27.79 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -149.12 168.66 22.59 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.369 0.604 . . . . 0.0 110.879 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 28.7 p -122.18 -178.26 3.82 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 172.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -59.35 -28.94 67.3 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.528 0.604 . . . . 0.0 111.089 -176.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 71.3 m -76.17 -56.54 4.55 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 122.756 0.423 . . . . 0.0 111.556 -177.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 7.7 p -79.15 -13.94 59.41 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 -175.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -69.31 -43.0 74.67 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 169.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -70.33 -17.22 63.06 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.93 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 54.7 m0 -83.74 -23.87 31.41 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.566 0.621 . . . . 0.0 112.117 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -97.41 -5.19 36.81 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.607 0.639 . . . . 0.0 111.709 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -130.83 21.71 4.99 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 117.756 0.253 . . . . 0.0 111.002 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 37.0 t -65.7 -33.88 76.9 Favored 'General case' 0 C--N 1.338 0.084 0 C-N-CA 123.082 0.553 . . . . 0.0 111.171 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 18.3 ptt? -88.45 159.33 18.03 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.944 0.498 . . . . 0.0 110.988 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -72.13 -14.5 61.85 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.1 0.56 . . . . 0.0 111.465 -175.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -72.96 -18.24 78.97 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 118.968 -0.907 . . . . 0.0 114.034 -174.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 64.7 mt -122.87 19.42 10.14 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-N 118.571 1.185 . . . . 0.0 112.431 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 29.3 mmt85 -72.4 -2.4 19.21 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 122.075 -0.39 . . . . 0.0 111.81 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -87.87 -4.01 58.89 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.964 0.506 . . . . 0.0 111.52 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -75.77 157.73 33.12 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 70.0 m -137.45 137.42 22.18 Favored Pre-proline 0 N--CA 1.455 -0.183 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -75.39 140.59 24.59 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 123.025 2.484 . . . . 0.0 111.03 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 10.6 mp . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 173.047 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 9.6 tp . . . . . 0 N--CA 1.446 -0.627 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.512 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 37.0 t -56.77 128.4 36.37 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 175.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -82.89 -0.39 48.08 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -174.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 37.1 mm -121.81 -25.02 2.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 118.014 0.37 . . . . 0.0 110.581 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.435 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 12.2 m -119.26 -29.38 5.2 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 122.349 0.26 . . . . 0.0 111.286 -174.063 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 15.0 p 39.65 35.43 0.2 Allowed 'General case' 0 C--N 1.34 0.184 0 C-N-CA 124.692 1.197 . . . . 0.0 113.077 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 72.3 m -123.02 -2.88 8.62 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.339 0.656 . . . . 0.0 111.192 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -134.0 158.04 76.29 Favored Pre-proline 0 N--CA 1.455 -0.178 0 C-N-CA 123.906 0.882 . . . . 0.0 109.321 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -63.82 5.39 0.37 Allowed 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 125.004 3.803 . . . . 0.0 114.504 -176.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 68.51 63.02 3.74 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 -175.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.58 -9.61 26.58 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 123.921 3.081 . . . . 0.0 111.986 -174.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -132.64 157.41 44.88 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 110.964 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -139.23 154.08 47.94 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.131 0.972 . . . . 0.0 108.545 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 447' ' ' CYS . . . . . 0.468 ' HG ' ' CB ' ' A' ' 452' ' ' CYS . 29.9 t -131.75 133.18 44.51 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -126.57 82.99 2.12 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.594 0.758 . . . . 0.0 109.923 -173.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -132.73 -179.71 5.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.034 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -73.29 -1.72 19.08 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.305 -0.247 . . . . 0.0 111.318 176.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 33.7 m -134.81 -2.96 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 C-N-CA 123.052 0.541 . . . . 0.0 111.755 174.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 452' ' ' CYS . . . . . 0.468 ' CB ' ' HG ' ' A' ' 447' ' ' CYS . 84.1 m -120.95 133.64 55.28 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.189 0.449 . . . . 0.0 110.279 176.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -157.14 27.82 0.3 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.275 0.23 . . . . 0.0 111.225 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -133.79 167.3 20.8 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 122.917 0.487 . . . . 0.0 111.703 -174.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -88.24 150.76 23.09 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.859 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -147.31 170.64 16.89 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.286 0.634 . . . . 0.0 110.578 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 457' ' ' CYS . . . . . 0.435 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 26.4 p -116.02 176.54 5.05 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.805 1.242 . . . . 0.0 108.117 174.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -60.06 -35.37 74.98 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 121.556 -0.715 . . . . 0.0 111.574 -174.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 75.6 m -67.67 -48.61 66.14 Favored 'General case' 0 N--CA 1.458 -0.061 0 C-N-CA 122.251 0.22 . . . . 0.0 111.292 -175.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 460' ' ' CYS . . . . . 0.512 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 24.6 p -88.48 -14.7 37.21 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 111.392 0.145 . . . . 0.0 111.392 -175.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 43.0 t-105 -62.01 -40.42 95.63 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 170.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -75.7 -27.99 58.45 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.769 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 44.9 m0 -70.25 -13.34 62.13 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 118.724 0.693 . . . . 0.0 111.33 176.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -115.99 -13.49 11.26 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 123.116 0.566 . . . . 0.0 112.007 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -134.76 1.37 3.05 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -173.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 26.8 t -80.63 -16.51 53.89 Favored 'General case' 0 CA--C 1.527 0.072 0 CA-C-N 119.224 0.92 . . . . 0.0 109.996 175.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.2 ptp -69.54 156.46 38.86 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.043 0.537 . . . . 0.0 110.217 177.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.38 -4.99 39.76 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -90.13 -29.47 14.88 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-O 118.772 -1.016 . . . . 0.0 113.445 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 66.9 mt -128.45 11.17 6.29 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 118.538 1.169 . . . . 0.0 113.074 -172.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -71.97 7.11 1.73 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -94.06 -2.45 52.88 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.544 0.738 . . . . 0.0 111.532 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 55.3 m170 -75.34 161.2 29.49 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.673 0.389 . . . . 0.0 110.544 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 55.4 m -129.67 146.67 62.16 Favored Pre-proline 0 N--CA 1.456 -0.166 0 C-N-CA 123.169 0.588 . . . . 0.0 109.637 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.7 151.1 69.31 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 123.603 2.869 . . . . 0.0 111.49 -176.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 90.9 mt . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 124.649 1.18 . . . . 0.0 109.007 179.102 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 439' ' ' SER . 2.6 mm? . . . . . 0 N--CA 1.455 -0.204 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 14.3 t -58.08 136.22 57.14 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 169.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -81.31 4.11 21.76 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -174.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 33.6 mm -123.61 -26.62 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 C-N-CA 122.922 0.489 . . . . 0.0 110.274 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 24.5 m -111.51 -27.09 8.74 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 439' ' ' SER . . . . . 0.45 ' HA ' ' HB3' ' A' ' 434' ' ' LEU . 20.8 p 39.95 41.89 0.97 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.556 1.142 . . . . 0.0 113.578 179.125 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 66.2 m -131.75 -9.9 3.53 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.134 0.574 . . . . 0.0 112.008 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -153.87 155.23 31.08 Favored Pre-proline 0 N--CA 1.455 -0.218 0 C-N-CA 123.329 0.652 . . . . 0.0 109.509 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -68.71 105.21 1.27 Allowed 'Trans proline' 0 N--CA 1.448 -1.172 0 C-N-CA 122.567 2.178 . . . . 0.0 108.633 173.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -48.97 116.96 3.72 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -178.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -79.13 -8.12 15.29 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 123.919 3.08 . . . . 0.0 111.577 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -130.53 160.27 34.62 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 121.217 0.532 . . . . 0.0 111.947 -176.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -138.36 149.28 45.43 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.593 1.157 . . . . 0.0 108.025 175.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 447' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 21.7 t -120.86 127.77 52.21 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -123.91 88.58 2.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.779 0.832 . . . . 0.0 109.684 -174.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -136.71 -172.9 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.952 0.501 . . . . 0.0 110.876 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -72.38 -10.79 60.24 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.014 -0.429 . . . . 0.0 110.397 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 33.0 m -128.12 -11.64 3.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 122.997 0.519 . . . . 0.0 112.334 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 452' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 81.6 m -110.91 134.04 52.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 118.186 0.448 . . . . 0.0 110.317 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -150.98 18.22 0.77 Allowed 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.58 169.56 16.81 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 118.949 0.795 . . . . 0.0 112.004 -170.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -85.61 149.04 25.62 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.037 0.535 . . . . 0.0 109.985 174.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -147.45 177.49 9.2 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.337 0.655 . . . . 0.0 110.944 -175.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 24.4 p -130.17 175.44 8.91 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.088 1.355 . . . . 0.0 108.2 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -59.67 -33.42 71.54 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 121.816 -0.553 . . . . 0.0 111.586 -173.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 72.9 m -67.8 -50.49 56.58 Favored 'General case' 0 C--O 1.233 0.202 0 O-C-N 122.293 -0.254 . . . . 0.0 111.181 -176.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 460' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 19.0 p -86.38 -16.75 36.35 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -175.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -63.02 -39.57 95.14 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 172.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -77.42 -24.7 50.36 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 117.926 0.33 . . . . 0.0 110.97 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 49.4 m0 -69.99 -15.37 63.02 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.865 0.757 . . . . 0.0 111.534 176.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -113.26 -28.36 7.64 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 176.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -110.37 6.28 22.19 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -172.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 40.7 t -79.04 -15.86 57.64 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.677 0.671 . . . . 0.0 110.351 174.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.5 ptp -74.45 150.85 39.74 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 176.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.29 -7.39 52.62 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -175.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -84.69 -19.22 60.26 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.08 -0.845 . . . . 0.0 113.663 -177.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 77.7 mt -125.85 21.54 7.58 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.57 1.185 . . . . 0.0 112.405 -174.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -68.6 -3.56 12.25 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.286 0.493 . . . . 0.0 112.143 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -89.79 -4.15 57.78 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.218 0.607 . . . . 0.0 112.074 -178.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -77.18 152.22 34.9 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.219 0.463 . . . . 0.0 110.422 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 54.6 m -140.6 148.45 53.24 Favored Pre-proline 0 N--CA 1.455 -0.203 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.65 154.71 24.4 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.254 2.636 . . . . 0.0 112.921 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 43.1 tp . . . . . 0 N--CA 1.454 -0.235 0 C-N-CA 124.036 0.934 . . . . 0.0 108.803 177.128 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.869 -0.049 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.501 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 34.0 t -57.75 130.51 46.74 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 173.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -83.31 5.07 24.5 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -174.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 33.0 mm -124.81 -25.74 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 123.11 0.564 . . . . 0.0 110.44 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 24.3 m -118.83 -27.48 5.8 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.657 0.383 . . . . 0.0 111.922 -172.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 16.3 p 40.5 36.54 0.37 Allowed 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.023 1.329 . . . . 0.0 114.466 176.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 74.2 m -121.81 -0.75 9.54 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 123.117 0.567 . . . . 0.0 111.735 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -146.82 154.58 47.65 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 124.491 1.117 . . . . 0.0 109.224 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -69.85 18.93 0.19 Allowed 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 124.723 3.616 . . . . 0.0 113.525 -177.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 68.04 84.35 0.12 Allowed Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -71.32 -11.06 28.15 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 123.345 2.697 . . . . 0.0 111.149 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -139.69 160.44 39.87 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.322 0.582 . . . . 0.0 111.629 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -140.99 156.78 45.98 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.379 1.071 . . . . 0.0 108.224 173.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 447' ' ' CYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 15.4 t -135.61 137.85 42.34 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -128.34 10.46 6.26 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -169.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.07 -179.91 2.09 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.163 0.506 . . . . 0.0 111.993 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -61.2 -13.88 21.4 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -172.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 29.9 m -124.95 0.48 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 118.59 0.632 . . . . 0.0 111.794 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 452' ' ' CYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 80.9 m -117.7 134.29 55.06 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.778 0.431 . . . . 0.0 110.776 -178.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -150.79 20.71 0.8 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 122.974 0.509 . . . . 0.0 111.239 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -132.74 165.51 24.37 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 122.764 0.426 . . . . 0.0 111.79 -170.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -84.14 148.29 26.86 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -145.24 174.71 10.85 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.226 0.536 . . . . 0.0 110.768 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 457' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 26.5 p -129.42 177.07 7.46 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.984 1.314 . . . . 0.0 108.496 175.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -59.58 -30.8 68.91 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.916 -0.49 . . . . 0.0 111.5 -176.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 75.7 m -69.74 -58.76 3.51 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.385 0.274 . . . . 0.0 111.35 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 460' ' ' CYS . . . . . 0.501 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 12.3 p -77.19 -21.59 53.72 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -174.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 23.8 t-105 -60.01 -48.19 82.74 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 172.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -77.6 -6.49 53.91 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.9 m0 -81.37 -19.31 42.95 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 118.706 -0.664 . . . . 0.0 112.086 175.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 26.0 ttp180 -128.91 -17.55 3.94 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 175.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -91.27 9.04 33.01 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.012 0.823 . . . . 0.0 111.227 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 65.6 p -85.98 -16.87 36.97 Favored 'General case' 0 C--N 1.338 0.098 0 C-N-CA 122.99 0.516 . . . . 0.0 111.802 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.6 ptp -94.26 159.52 15.09 Favored 'General case' 0 C--O 1.23 0.06 0 C-N-CA 122.892 0.477 . . . . 0.0 110.669 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -73.22 -5.88 42.23 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -174.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -79.81 -13.88 81.69 Favored Glycine 0 CA--C 1.526 0.761 0 CA-C-O 119.745 -0.475 . . . . 0.0 111.951 177.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.4 mp -137.0 11.8 3.09 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.434 0.694 . . . . 0.0 112.433 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -69.92 -4.8 22.15 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 121.51 -0.744 . . . . 0.0 112.802 -176.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -100.69 2.33 41.37 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.913 0.885 . . . . 0.0 112.065 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -75.95 161.71 28.7 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 122.617 0.367 . . . . 0.0 111.275 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 71.0 m -134.06 143.54 47.7 Favored Pre-proline 0 CA--C 1.528 0.111 0 C-N-CA 123.677 0.791 . . . . 0.0 109.186 176.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -75.13 145.57 31.16 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.216 2.611 . . . . 0.0 112.024 -176.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 N--CA 1.454 -0.239 0 C-N-CA 124.491 1.116 . . . . 0.0 108.391 173.448 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 9.6 tp . . . . . 0 N--CA 1.45 -0.472 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.459 ' CB ' ' SG ' ' A' ' 438' ' ' CYS . 36.5 m -56.88 151.52 14.39 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.981 0.419 . . . . 0.0 110.738 178.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -86.03 -19.67 29.96 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -175.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 38.6 mm -118.8 -41.88 2.4 Favored 'Isoleucine or valine' 0 C--N 1.342 0.27 0 CA-C-N 118.373 0.533 . . . . 0.0 111.51 -177.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.459 ' SG ' ' CB ' ' A' ' 435' ' ' CYS . 26.5 p -95.97 -29.37 14.19 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -176.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 5.5 p 40.49 26.95 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.321 1.448 . . . . 0.0 113.845 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 64.4 m -89.0 -11.07 45.31 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.648 0.379 . . . . 0.0 111.61 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -155.51 159.91 31.28 Favored Pre-proline 0 N--CA 1.454 -0.273 0 C-N-CA 122.665 0.386 . . . . 0.0 110.284 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -69.37 105.19 1.38 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 122.442 2.095 . . . . 0.0 107.156 169.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -55.16 125.39 35.8 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 -174.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -75.97 -8.59 19.04 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.906 3.071 . . . . 0.0 111.694 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -122.77 159.16 28.62 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 121.197 0.522 . . . . 0.0 111.733 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -145.12 159.78 42.45 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.386 1.074 . . . . 0.0 108.179 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 16.0 t -130.96 146.2 52.28 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.748 0.419 . . . . 0.0 109.876 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -97.22 -2.21 43.28 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -172.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -80.92 158.87 25.12 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.321 0.509 . . . . 0.0 111.277 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -76.13 -6.78 52.79 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -174.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 34.6 m -102.1 -11.3 8.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 122.601 0.36 . . . . 0.0 111.506 -176.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 11.8 p -148.89 43.04 0.97 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.043 0.537 . . . . 0.0 110.484 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -73.84 43.02 0.15 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.909 0.883 . . . . 0.0 112.002 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -134.95 176.66 8.46 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 124.513 1.125 . . . . 0.0 110.061 -177.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -86.71 153.14 21.95 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 120.861 0.362 . . . . 0.0 110.74 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -149.13 167.71 25.19 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.299 0.64 . . . . 0.0 110.993 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 29.2 p -123.69 179.92 4.61 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.389 1.475 . . . . 0.0 107.738 173.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -58.81 -27.03 64.67 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.56 -0.712 . . . . 0.0 111.386 -176.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 70.9 m -75.63 -61.65 1.85 Allowed 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.396 0.278 . . . . 0.0 110.67 -177.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 7.1 p -74.56 -22.72 58.85 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 -174.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -64.54 -47.04 80.28 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 173.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -76.82 -4.9 45.99 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 117.887 0.312 . . . . 0.0 111.739 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 54.2 m0 -88.43 -15.23 35.99 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.347 0.522 . . . . 0.0 111.943 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -122.23 -24.77 5.0 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 176.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -94.54 14.26 21.42 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.519 0.6 . . . . 0.0 112.191 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 65.2 p -92.69 -13.44 29.4 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 123.423 0.689 . . . . 0.0 112.057 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.5 ptp -96.44 153.67 17.7 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 122.909 0.484 . . . . 0.0 110.88 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -60.2 -16.48 33.56 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -173.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -81.85 -5.68 89.6 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-O 119.217 -0.768 . . . . 0.0 112.704 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.3 mp -139.55 2.61 2.04 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.493 1.147 . . . . 0.0 113.655 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -73.89 0.13 14.29 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 119.36 0.982 . . . . 0.0 112.286 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 57.3 p-80 -100.76 4.86 43.36 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.316 0.646 . . . . 0.0 111.846 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -82.19 169.28 16.78 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.001 0.52 . . . . 0.0 111.292 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 62.6 m -135.85 144.83 50.29 Favored Pre-proline 0 C--O 1.232 0.164 0 C-N-CA 123.912 0.885 . . . . 0.0 108.985 176.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -72.45 161.19 44.93 Favored 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 123.529 2.819 . . . . 0.0 111.459 -177.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 15.4 tp . . . . . 0 N--CA 1.455 -0.204 0 C-N-CA 124.131 0.972 . . . . 0.0 108.542 178.397 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 16.5 tp . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 48.3 t -58.58 144.71 41.94 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -93.47 -16.63 24.31 Favored 'General case' 0 N--CA 1.458 -0.07 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -171.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 35.5 mm -109.8 -19.22 7.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 CA-C-N 118.552 0.615 . . . . 0.0 111.37 -176.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 27.9 p -134.46 -25.52 1.5 Allowed 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 5.5 p 45.87 21.56 0.1 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.863 1.265 . . . . 0.0 113.316 -176.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 66.0 m -91.63 -6.49 52.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.252 0.621 . . . . 0.0 110.916 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -135.23 156.52 78.03 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 124.324 1.049 . . . . 0.0 109.217 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -79.58 19.99 0.91 Allowed 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 125.218 3.945 . . . . 0.0 113.178 -169.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 61.97 63.26 4.91 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 177.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -67.22 -10.17 27.68 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 123.937 3.091 . . . . 0.0 112.116 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -133.75 163.34 29.68 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.949 0.404 . . . . 0.0 111.369 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -146.2 151.95 38.44 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.249 1.019 . . . . 0.0 108.48 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 9.6 t -125.61 135.74 52.51 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -111.77 75.43 0.92 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.37 0.668 . . . . 0.0 111.242 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -132.74 -176.27 4.05 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.563 0.345 . . . . 0.0 111.29 176.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -93.05 -2.82 55.25 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.165 0.586 . . . . 0.0 111.325 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 17.8 m -115.71 -22.55 4.55 Favored 'Isoleucine or valine' 0 C--N 1.34 0.165 0 C-N-CA 122.735 0.414 . . . . 0.0 111.089 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 4.3 p -137.22 131.14 32.01 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 172.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -147.93 23.86 1.07 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.896 0.479 . . . . 0.0 111.733 -171.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -132.45 178.36 6.89 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.077 0.551 . . . . 0.0 110.755 -174.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -82.2 148.79 28.25 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.801 0.44 . . . . 0.0 110.754 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -149.9 161.38 42.4 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.529 0.731 . . . . 0.0 110.237 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 24.7 p -100.29 173.65 6.5 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 170.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.68 -24.72 66.94 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 121.706 -0.621 . . . . 0.0 111.701 -177.184 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 7.6 t -69.97 -46.74 64.58 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 109.618 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 37.4 m -82.97 -24.1 33.1 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.842 -173.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -63.21 -40.74 98.34 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -72.35 -28.87 63.31 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.191 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 53.0 m0 -72.85 -7.61 51.66 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.394 0.543 . . . . 0.0 111.516 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 88.3 mmt-85 -124.96 0.59 7.97 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -139.85 9.33 2.37 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 69.5 m -77.01 -9.94 59.04 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 119.052 0.842 . . . . 0.0 111.076 175.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.8 ptp -81.81 150.61 27.78 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 177.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -72.46 -11.94 60.89 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.362 0.265 . . . . 0.0 111.607 -176.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -82.74 -16.0 71.66 Favored Glycine 0 CA--C 1.527 0.826 0 CA-C-O 118.846 -0.974 . . . . 0.0 113.678 -176.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 68.1 mt -123.22 19.46 9.85 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 118.545 1.173 . . . . 0.0 112.518 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -72.05 0.89 8.34 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.972 -0.455 . . . . 0.0 111.892 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -93.39 -4.91 50.58 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.317 0.647 . . . . 0.0 111.915 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -74.04 159.0 33.28 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.935 0.397 . . . . 0.0 110.844 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 69.0 m -139.41 149.06 59.01 Favored Pre-proline 0 N--CA 1.455 -0.223 0 C-N-CA 123.362 0.665 . . . . 0.0 109.444 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -68.78 156.49 65.28 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 123.572 2.848 . . . . 0.0 111.097 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 24.7 tp . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 -179.45 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 14.4 tp . . . . . 0 N--CA 1.45 -0.459 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 54.1 t -57.29 139.59 52.39 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -87.08 -10.38 53.06 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -171.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 40.9 mm -116.39 -21.7 4.93 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-N 118.25 0.477 . . . . 0.0 111.875 -175.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 31.9 p -133.47 -21.03 2.04 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 118.305 0.502 . . . . 0.0 112.25 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 6.2 p 42.57 28.15 0.11 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.888 1.275 . . . . 0.0 113.689 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 59.0 m -87.99 -8.81 55.11 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 122.99 0.516 . . . . 0.0 111.911 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -157.26 157.2 30.22 Favored Pre-proline 0 N--CA 1.454 -0.244 0 C-N-CA 122.99 0.516 . . . . 0.0 109.842 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -66.01 106.73 1.01 Allowed 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 122.636 2.224 . . . . 0.0 107.684 171.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -51.39 116.11 4.36 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 123.556 0.598 . . . . 0.0 111.749 -175.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -77.09 -8.03 17.48 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 123.763 2.975 . . . . 0.0 111.617 177.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -123.6 157.42 33.76 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.177 0.513 . . . . 0.0 112.196 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -145.27 160.12 41.97 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.798 1.239 . . . . 0.0 108.968 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 8.8 t -134.43 154.51 51.35 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -103.82 -15.31 15.74 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -169.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.33 153.5 33.76 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.901 0.773 . . . . 0.0 110.788 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -71.78 -5.18 32.23 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 32.8 m -94.06 -11.87 8.88 Favored 'Isoleucine or valine' 0 C--N 1.341 0.204 0 CA-C-O 119.538 -0.268 . . . . 0.0 111.346 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 9.2 p -150.66 40.89 0.76 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 122.939 0.496 . . . . 0.0 110.73 178.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -74.84 52.51 0.54 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.772 0.829 . . . . 0.0 111.826 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -141.96 172.88 12.08 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 124.556 1.142 . . . . 0.0 109.929 -177.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -86.33 151.56 23.48 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.722 0.296 . . . . 0.0 110.427 177.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -147.9 167.71 24.13 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.4 0.619 . . . . 0.0 111.062 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 22.1 p -111.95 174.97 5.62 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.752 1.221 . . . . 0.0 108.71 172.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -60.01 -25.67 65.48 Favored 'General case' 0 C--O 1.232 0.179 0 O-C-N 122.0 -0.437 . . . . 0.0 111.66 -175.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 10.8 t -71.66 -52.21 19.08 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.119 0.485 . . . . 0.0 109.855 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 460' ' ' CYS . . . . . 0.429 ' HA ' ' HB3' ' A' ' 463' ' ' TRP . 37.1 m -77.39 -23.12 50.75 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.659 -173.013 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -69.39 -50.92 41.55 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -75.96 -8.74 57.65 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.745 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 463' ' ' TRP . . . . . 0.429 ' HB3' ' HA ' ' A' ' 460' ' ' CYS . 71.1 t90 -82.15 -21.67 36.47 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.991 0.516 . . . . 0.0 111.319 176.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 51.5 ttt85 -120.34 -17.43 8.21 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -107.65 6.27 27.64 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 23.3 t -95.11 -5.42 44.25 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-N 118.125 0.42 . . . . 0.0 111.415 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 23.8 ptp -80.15 155.99 27.19 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 122.192 -0.317 . . . . 0.0 110.598 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -78.44 71.21 4.89 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.915 0.486 . . . . 0.0 110.366 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -174.92 -25.98 0.03 OUTLIER Glycine 0 CA--C 1.529 0.912 0 CA-C-O 119.241 -0.755 . . . . 0.0 112.873 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 52.6 mt -117.2 23.2 12.0 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.168 0.984 . . . . 0.0 111.438 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -69.86 -3.49 16.03 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 123.533 0.733 . . . . 0.0 111.862 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -93.87 -2.55 53.25 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.418 0.687 . . . . 0.0 112.199 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 52.8 m170 -80.44 156.85 26.42 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 118.208 0.458 . . . . 0.0 110.348 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 64.3 m -140.69 150.8 61.35 Favored Pre-proline 0 N--CA 1.455 -0.178 0 C-N-CA 123.39 0.676 . . . . 0.0 109.186 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.76 148.98 52.56 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.6 2.867 . . . . 0.0 112.896 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 95.7 mt . . . . . 0 N--CA 1.457 -0.124 0 C-N-CA 124.262 1.025 . . . . 0.0 109.255 178.394 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.407 HD21 ' HB2' ' A' ' 439' ' ' SER . 30.7 tp . . . . . 0 N--CA 1.451 -0.377 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.435 ' HG ' ' HG ' ' A' ' 438' ' ' CYS . 53.4 t -55.71 133.34 50.73 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -88.42 -2.29 58.51 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -173.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 31.9 mm -117.83 -20.76 5.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 118.682 0.674 . . . . 0.0 111.296 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.435 ' HG ' ' HG ' ' A' ' 435' ' ' CYS . 26.0 p -137.39 -25.43 1.03 Allowed 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 439' ' ' SER . . . . . 0.407 ' HB2' HD21 ' A' ' 434' ' ' LEU . 6.2 p 46.22 26.27 0.43 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.294 1.038 . . . . 0.0 113.262 -178.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 67.2 m -85.97 -11.23 53.58 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -150.88 159.81 33.31 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-O 119.195 -0.431 . . . . 0.0 109.866 176.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -57.56 5.53 0.07 OUTLIER 'Trans proline' 0 CA--C 1.537 0.632 1 C-N-CA 126.11 4.54 . . . . 0.0 116.673 -171.176 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 65.61 72.97 0.65 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -72.57 -8.5 22.64 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.968 3.112 . . . . 0.0 111.846 -176.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -125.05 157.48 36.15 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.168 0.509 . . . . 0.0 111.515 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -142.28 145.16 33.71 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.611 0.764 . . . . 0.0 109.92 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 17.1 t -121.61 122.69 40.2 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -92.72 -11.85 32.91 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -170.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.3 153.66 37.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.11 -0.369 . . . . 0.0 111.326 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -71.24 -3.16 18.81 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 -173.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 34.1 m -106.24 -5.96 10.1 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 CA-C-N 117.969 0.35 . . . . 0.0 111.102 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 65.5 m -116.84 -65.72 1.16 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 17.9 t80 46.28 27.27 0.55 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.847 1.659 . . . . 0.0 114.454 175.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -142.4 167.01 23.11 Favored 'General case' 0 C--N 1.338 0.108 0 C-N-CA 123.25 0.62 . . . . 0.0 111.212 -177.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -89.09 150.52 22.7 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.264 0.625 . . . . 0.0 110.013 177.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -149.64 165.88 30.97 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.272 0.558 . . . . 0.0 111.106 -177.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 457' ' ' CYS . . . . . 0.431 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 22.6 p -102.95 176.12 5.25 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 170.132 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 41.9 ptt180 -61.31 -28.18 69.01 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.706 -0.621 . . . . 0.0 111.356 -177.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 7.8 t -69.94 -48.97 56.35 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.409 0.623 . . . . 0.0 109.98 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 460' ' ' CYS . . . . . 0.431 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 56.2 m -80.82 -22.97 39.51 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.905 -172.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -64.32 -40.68 96.4 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 173.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -74.29 -21.57 59.67 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.789 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 52.4 m0 -78.78 -9.0 59.3 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.448 0.567 . . . . 0.0 111.55 176.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -123.39 2.83 9.1 Favored 'General case' 0 C--N 1.338 0.099 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -139.72 14.67 2.51 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 54.6 p -75.74 -26.06 57.1 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 118.49 0.587 . . . . 0.0 111.303 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -73.56 150.68 41.3 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 30.2 mp0 -71.74 -8.66 55.56 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.295 0.238 . . . . 0.0 111.417 -177.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -80.14 -21.72 64.66 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 118.735 -1.036 . . . . 0.0 113.558 -176.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 52.3 mt -121.22 15.58 11.44 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.738 1.269 . . . . 0.0 112.68 -174.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -73.95 2.28 8.98 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.599 0.636 . . . . 0.0 112.077 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -90.22 -4.67 57.07 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.964 0.506 . . . . 0.0 111.651 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -75.03 157.66 34.48 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 122.715 0.406 . . . . 0.0 110.214 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 61.5 m -134.6 135.45 23.62 Favored Pre-proline 0 N--CA 1.456 -0.144 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 176.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -76.43 149.74 31.39 Favored 'Trans proline' 0 N--CA 1.45 -1.064 0 C-N-CA 123.198 2.599 . . . . 0.0 111.716 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 172.196 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.482 HD21 ' HB2' ' A' ' 439' ' ' SER . 31.5 tp . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 44.1 t -58.66 137.67 57.43 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -100.2 2.86 43.29 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -171.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 33.6 mm -112.98 -23.25 4.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 118.328 0.513 . . . . 0.0 110.598 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 7.8 p -144.73 -17.39 0.53 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -176.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 439' ' ' SER . . . . . 0.482 ' HB2' HD21 ' A' ' 434' ' ' LEU . 8.3 p 43.78 31.01 0.43 Allowed 'General case' 0 C--N 1.343 0.322 0 C-N-CA 124.428 1.091 . . . . 0.0 113.803 176.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 13.0 t -86.85 -17.61 32.94 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.877 0.37 . . . . 0.0 111.225 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 441' ' ' GLN . . . . . 0.418 ' HB2' ' HD2' ' A' ' 442' ' ' PRO . 9.2 pt20 -149.99 157.09 38.04 Favored Pre-proline 0 N--CA 1.455 -0.208 0 C-N-CA 123.895 0.878 . . . . 0.0 109.195 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 442' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 441' ' ' GLN . 75.7 Cg_endo -67.71 28.93 0.13 Allowed 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 125.291 3.994 . . . . 0.0 114.713 -171.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 59.12 80.82 0.08 OUTLIER Glycine 0 CA--C 1.527 0.809 0 C-N-CA 123.722 0.677 . . . . 0.0 112.29 173.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -71.69 -9.17 24.52 Favored 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 123.562 2.841 . . . . 0.0 111.47 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -134.51 162.35 32.5 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.353 0.596 . . . . 0.0 111.85 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -140.51 156.14 46.43 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.657 1.183 . . . . 0.0 108.02 175.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 447' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 23.3 t -131.61 133.3 44.82 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -178.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -126.67 87.26 2.63 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.541 0.737 . . . . 0.0 109.964 -172.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -137.84 -177.15 4.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.302 177.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -70.68 -9.33 56.88 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 122.074 -0.391 . . . . 0.0 110.996 177.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 18.6 m -129.5 -12.71 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 C-N-CA 122.991 0.516 . . . . 0.0 111.594 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 452' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 87.1 m -111.73 128.9 56.23 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.042 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -156.45 28.79 0.34 Allowed 'General case' 0 C--O 1.232 0.133 0 C-N-CA 122.388 0.275 . . . . 0.0 111.269 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -130.67 170.17 14.66 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.155 0.582 . . . . 0.0 110.996 -176.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -85.09 149.86 25.26 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -146.21 170.88 15.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.462 0.649 . . . . 0.0 110.413 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 457' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 22.6 p -123.69 174.26 7.59 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.895 1.278 . . . . 0.0 107.797 172.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -61.55 -29.02 69.75 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.525 -0.735 . . . . 0.0 111.752 -172.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 22.7 t -73.32 -50.49 21.83 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.456 0.17 . . . . 0.0 111.149 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 460' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 18.3 p -82.59 -14.97 53.89 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 122.21 -0.306 . . . . 0.0 111.246 -179.157 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 37.9 t-105 -62.02 -39.67 93.05 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 171.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -74.43 -27.69 60.72 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 119.407 -0.33 . . . . 0.0 110.75 177.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.9 m0 -68.18 -16.06 63.83 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.833 0.742 . . . . 0.0 111.7 176.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 18.6 tpp85 -112.81 -20.09 11.75 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 122.915 0.486 . . . . 0.0 111.873 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -126.66 5.62 6.76 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -172.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 36.3 t -74.46 -16.35 60.86 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.048 0.84 . . . . 0.0 109.818 174.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.9 ptp -77.07 152.53 35.02 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.935 0.494 . . . . 0.0 109.96 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -79.9 -10.31 59.76 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -178.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -75.88 -20.7 77.64 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-O 119.374 -0.681 . . . . 0.0 112.772 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 79.2 mt -125.04 23.85 7.67 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 117.799 0.799 . . . . 0.0 110.921 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -68.09 -2.16 7.31 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.19 0.596 . . . . 0.0 112.095 -177.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -95.75 -1.24 50.21 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.902 0.881 . . . . 0.0 112.256 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -77.53 157.65 30.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 118.294 0.497 . . . . 0.0 110.391 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 49.8 m -137.46 148.17 60.66 Favored Pre-proline 0 C--O 1.234 0.24 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -68.82 150.79 74.08 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 123.539 2.826 . . . . 0.0 111.497 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 124.435 1.094 . . . . 0.0 108.902 179.247 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' A' ' 439' ' ' SER . 40.4 tp . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 35.5 t -56.64 138.59 52.21 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 178.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -94.96 -2.83 49.69 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -172.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 42.5 mm -114.62 -25.69 3.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 118.886 0.766 . . . . 0.0 111.19 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.468 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 6.4 p -142.24 -17.6 0.73 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -177.044 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 439' ' ' SER . . . . . 0.452 ' HB2' HD21 ' A' ' 434' ' ' LEU . 5.6 p 45.21 30.4 0.64 Allowed 'General case' 0 C--N 1.343 0.299 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 176.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 13.0 t -85.43 -19.0 31.98 Favored 'General case' 0 N--CA 1.457 -0.119 0 O-C-N 122.179 -0.326 . . . . 0.0 111.791 -177.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -148.83 163.11 27.14 Favored Pre-proline 0 N--CA 1.45 -0.435 0 C-N-CA 123.394 0.678 . . . . 0.0 109.818 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -56.96 8.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 1 C-N-CA 126.005 4.47 . . . . 0.0 116.695 -172.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 64.19 73.93 0.51 Allowed Glycine 0 CA--C 1.525 0.659 0 CA-C-N 119.447 1.021 . . . . 0.0 110.98 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -73.1 -8.49 22.21 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.835 3.023 . . . . 0.0 112.059 -176.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -125.32 157.75 35.91 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.191 0.519 . . . . 0.0 111.673 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -149.34 158.18 43.95 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.565 1.146 . . . . 0.0 108.203 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 9.0 t -129.24 159.76 35.1 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.223 0.465 . . . . 0.0 110.353 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 48.4 tpt85 -103.65 -17.25 15.21 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -169.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -79.3 154.82 28.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 118.874 0.761 . . . . 0.0 110.838 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -73.47 -5.24 38.79 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 32.6 m -92.74 -14.94 8.23 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 CA-C-N 117.767 0.258 . . . . 0.0 111.117 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 11.3 p -146.76 40.17 1.07 Allowed 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.966 0.506 . . . . 0.0 110.898 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -75.15 47.64 0.37 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.693 0.797 . . . . 0.0 112.083 -177.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -135.72 171.24 14.73 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.016 0.926 . . . . 0.0 110.219 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -85.74 148.57 25.79 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.982 0.42 . . . . 0.0 110.501 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -146.99 174.65 11.33 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.571 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 457' ' ' CYS . . . . . 0.468 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 19.2 p -126.21 178.41 5.82 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.897 1.279 . . . . 0.0 108.376 175.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -55.48 -41.4 72.93 Favored 'General case' 0 C--O 1.231 0.106 0 O-C-N 121.813 -0.554 . . . . 0.0 111.433 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 73.0 m -66.37 -49.22 67.61 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -174.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 460' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 10.2 p -88.57 -15.73 34.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -174.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -62.59 -38.58 90.69 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 171.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -75.1 -29.67 60.69 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.545 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -70.46 -8.93 54.81 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.562 0.619 . . . . 0.0 111.426 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -123.93 -2.28 8.25 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -139.5 1.24 1.93 Allowed 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 30.3 t -80.12 -15.03 57.99 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.903 0.774 . . . . 0.0 109.908 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.8 ptp -71.87 147.06 47.49 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 176.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -67.13 -11.87 58.45 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -175.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -82.5 -20.86 61.22 Favored Glycine 0 CA--C 1.529 0.918 0 CA-C-O 118.838 -0.979 . . . . 0.0 113.877 -176.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 78.7 mt -127.15 22.01 6.68 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.676 1.238 . . . . 0.0 112.751 -173.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -71.49 -0.02 9.48 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.746 -0.596 . . . . 0.0 112.08 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 54.2 p-80 -90.19 -2.12 58.02 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.981 0.513 . . . . 0.0 111.687 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -79.65 160.3 26.4 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.932 0.493 . . . . 0.0 111.046 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 69.9 m -139.22 147.33 52.76 Favored Pre-proline 0 N--CA 1.453 -0.3 0 C-N-CA 124.09 0.956 . . . . 0.0 108.564 176.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.19 134.54 25.2 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 123.295 2.663 . . . . 0.0 111.487 -176.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 CA--C 1.529 0.172 0 C-N-CA 124.436 1.094 . . . . 0.0 108.922 174.536 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.55 HD21 ' HB2' ' A' ' 439' ' ' SER . 43.2 tp . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 36.3 t -59.66 127.12 30.42 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 175.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -86.23 3.82 41.43 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 112.602 0.594 . . . . 0.0 112.602 -174.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 35.0 mm -122.45 -24.98 2.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 117.88 0.309 . . . . 0.0 110.498 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 9.1 m -121.19 -35.03 3.37 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 122.219 0.208 . . . . 0.0 111.204 -174.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 439' ' ' SER . . . . . 0.55 ' HB2' HD21 ' A' ' 434' ' ' LEU . 13.2 p 41.61 27.41 0.06 Allowed 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.974 1.31 . . . . 0.0 114.111 -176.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 75.4 m -94.57 -10.45 32.01 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.408 0.683 . . . . 0.0 110.328 177.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -152.41 160.18 31.64 Favored Pre-proline 0 C--O 1.233 0.229 0 C-N-CA 124.233 1.013 . . . . 0.0 109.002 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -56.11 -9.45 3.32 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 124.396 3.397 . . . . 0.0 114.633 -175.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 75.82 91.26 0.21 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 -177.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -73.76 -7.38 20.02 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.623 2.882 . . . . 0.0 111.557 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -127.38 159.01 35.76 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 122.771 0.428 . . . . 0.0 111.453 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -145.64 151.02 37.39 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.503 1.121 . . . . 0.0 108.177 175.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 34.7 t -117.69 124.75 49.29 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.514 ' CD ' ' H ' ' A' ' 448' ' ' ARG . 0.0 OUTLIER -93.43 7.27 45.17 Favored 'General case' 0 CA--C 1.527 0.088 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -172.342 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -82.3 158.64 23.37 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.089 0.471 . . . . 0.0 111.093 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -72.82 -2.96 22.62 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 123.387 0.675 . . . . 0.0 112.56 -174.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 20.3 m -113.58 -0.51 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 122.781 0.433 . . . . 0.0 111.644 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 62.2 m -120.72 -69.94 0.81 Allowed 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 176.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 26.8 t80 47.24 33.22 2.45 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.278 1.431 . . . . 0.0 113.956 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -141.16 167.71 21.53 Favored 'General case' 0 C--N 1.339 0.15 0 O-C-N 121.891 -0.505 . . . . 0.0 111.334 -176.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -86.59 149.6 24.82 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.31 0.644 . . . . 0.0 109.598 175.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -148.98 172.64 14.39 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.401 0.62 . . . . 0.0 110.8 -176.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 22.0 p -124.3 176.71 6.27 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.491 1.516 . . . . 0.0 107.877 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -57.49 -35.34 70.09 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.241 0.473 . . . . 0.0 111.453 -174.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 75.1 m -67.12 -51.48 53.52 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 122.482 0.313 . . . . 0.0 111.349 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 460' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 15.5 p -86.81 -16.71 35.37 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -174.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -63.19 -38.24 90.39 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 172.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -77.86 -26.94 49.64 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.846 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 47.2 m0 -70.33 -13.81 62.31 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 118.62 0.646 . . . . 0.0 111.194 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.5 tpp85 -113.97 -16.37 12.18 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 122.874 0.47 . . . . 0.0 112.088 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -130.1 0.72 4.7 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -172.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 32.3 t -78.47 -14.0 59.57 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.899 0.772 . . . . 0.0 109.84 174.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.6 ptp -74.61 152.99 39.18 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.845 0.458 . . . . 0.0 109.77 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -72.36 -14.97 61.86 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.425 -0.172 . . . . 0.0 111.373 -176.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -79.12 -29.06 52.31 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-O 119.08 -0.844 . . . . 0.0 113.248 -176.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 66.2 mt -125.23 19.88 8.2 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.398 1.099 . . . . 0.0 112.212 -175.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -68.96 0.6 4.28 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -96.96 -2.36 43.78 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.579 0.751 . . . . 0.0 112.247 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -74.82 157.08 35.75 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.161 0.437 . . . . 0.0 110.189 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 474' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 475' ' ' PRO . 50.6 m -134.81 141.11 37.31 Favored Pre-proline 0 C--O 1.232 0.159 0 CA-C-O 119.184 -0.436 . . . . 0.0 110.027 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 475' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 474' ' ' SER . 52.4 Cg_exo -58.08 157.83 23.77 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 123.639 2.893 . . . . 0.0 113.422 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 30.3 tp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 176.355 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 3.2 tp . . . . . 0 N--CA 1.451 -0.418 0 N-CA-C 110.71 -0.107 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.513 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 39.6 t -58.04 129.19 40.8 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 174.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -83.22 1.35 41.2 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.988 -0.445 . . . . 0.0 111.933 -175.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 30.9 mm -122.54 -21.33 3.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 122.689 0.396 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 19.3 m -126.44 -26.15 3.35 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.633 0.373 . . . . 0.0 111.884 -173.071 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 16.0 p 40.04 38.25 0.47 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.298 1.439 . . . . 0.0 114.344 176.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 67.6 m -121.39 -0.14 9.89 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.242 0.617 . . . . 0.0 111.797 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.73 155.54 41.35 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 124.334 1.054 . . . . 0.0 109.525 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -69.42 24.0 0.16 Allowed 'Trans proline' 0 CA--C 1.534 0.498 0 C-N-CA 125.033 3.822 . . . . 0.0 113.686 -176.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 64.92 74.89 0.43 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -69.65 -9.4 26.05 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 123.299 2.666 . . . . 0.0 111.451 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -132.05 152.82 50.95 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 121.245 0.545 . . . . 0.0 111.516 177.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -151.78 161.1 43.21 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.975 1.31 . . . . 0.0 108.525 177.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 447' ' ' CYS . . . . . 0.413 ' HG ' ' HG ' ' A' ' 452' ' ' CYS . 6.5 t -135.7 154.5 51.25 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 117.86 0.3 . . . . 0.0 110.197 -178.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -103.07 -3.45 25.91 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -173.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.55 155.16 23.44 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 118.68 0.673 . . . . 0.0 111.055 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -74.99 -4.65 39.53 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.349 0.66 . . . . 0.0 112.197 -175.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.39 -8.39 9.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 452' ' ' CYS . . . . . 0.413 ' HG ' ' HG ' ' A' ' 447' ' ' CYS . 11.3 p -149.04 35.94 0.76 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.015 0.526 . . . . 0.0 110.914 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -68.84 22.62 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.809 1.244 . . . . 0.0 113.376 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -107.88 164.57 12.15 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.408 0.683 . . . . 0.0 111.289 -175.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -81.02 146.46 30.65 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -143.69 170.93 14.93 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.325 0.583 . . . . 0.0 111.222 -175.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 457' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 27.4 p -117.5 179.03 4.17 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.31 1.444 . . . . 0.0 107.457 172.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -61.11 -32.42 72.1 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.658 0.663 . . . . 0.0 111.526 -174.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 19.5 t -73.01 -50.74 21.38 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 122.172 0.189 . . . . 0.0 111.311 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 460' ' ' CYS . . . . . 0.513 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 16.9 p -82.61 -16.01 50.01 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 -178.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -61.16 -41.53 96.94 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 170.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -71.92 -29.16 64.02 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.735 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 52.8 m0 -69.67 -12.22 61.46 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 118.793 0.724 . . . . 0.0 111.591 177.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -118.68 -7.88 10.47 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -139.06 -1.14 1.79 Allowed 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -174.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 22.9 t -81.12 -13.78 58.35 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 119.047 0.839 . . . . 0.0 109.921 175.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.6 ptp -73.49 150.87 41.29 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.999 0.519 . . . . 0.0 109.825 176.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 468' ' ' GLU . . . . . 0.45 ' CD ' ' H ' ' A' ' 468' ' ' GLU . 1.1 pm0 -69.95 -7.23 38.85 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -177.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -84.38 -30.99 26.16 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 118.871 -0.961 . . . . 0.0 112.743 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 67.2 mt -126.67 14.93 7.56 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 118.345 1.072 . . . . 0.0 112.774 -174.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -70.02 2.02 3.98 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.933 -0.48 . . . . 0.0 112.128 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -94.44 -1.72 53.1 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.559 0.744 . . . . 0.0 112.055 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -76.45 164.11 26.3 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.732 0.413 . . . . 0.0 110.816 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 52.7 m -124.56 146.87 53.84 Favored Pre-proline 0 N--CA 1.454 -0.27 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -74.79 136.49 20.93 Favored 'Trans proline' 0 N--CA 1.45 -1.057 0 C-N-CA 123.248 2.632 . . . . 0.0 112.043 -176.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 CA--C 1.528 0.134 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 172.73 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.447 ' HB3' ' HA ' ' A' ' 439' ' ' SER . 1.8 mm? . . . . . 0 CA--C 1.531 0.245 0 CA-C-O 121.181 0.515 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 40.1 t -52.4 142.65 16.9 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.384 0.674 . . . . 0.0 109.76 172.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -84.78 0.3 51.2 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 -174.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 34.5 mm -118.7 -20.42 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.126 0 CA-C-N 118.396 0.544 . . . . 0.0 111.578 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.2 p -135.26 -18.3 1.76 Allowed 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -177.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 439' ' ' SER . . . . . 0.447 ' HA ' ' HB3' ' A' ' 434' ' ' LEU . 21.2 p 41.35 40.72 1.3 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 178.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 26.3 m -126.91 -0.25 6.61 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 124.414 1.086 . . . . 0.0 111.432 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -134.94 158.19 75.47 Favored Pre-proline 0 N--CA 1.454 -0.226 0 C-N-CA 124.05 0.94 . . . . 0.0 109.424 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -62.67 -2.35 3.36 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 124.887 3.725 . . . . 0.0 115.089 -171.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 61.53 49.94 71.64 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -175.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -70.97 -9.63 26.05 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 124.044 3.163 . . . . 0.0 112.877 -172.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -119.44 154.4 33.76 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.123 0.487 . . . . 0.0 111.664 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -147.84 152.96 38.52 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.782 1.233 . . . . 0.0 108.333 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 9.1 t -125.68 152.12 45.67 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.795 0.331 . . . . 0.0 110.918 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 45.7 mtm105 -92.88 -7.7 45.45 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -171.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.21 157.48 17.15 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 118.819 0.736 . . . . 0.0 110.856 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -73.98 -6.06 45.09 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -175.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 28.2 m -97.2 -10.18 8.89 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 CA-C-N 117.821 0.282 . . . . 0.0 111.345 -178.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 4.2 p -146.93 36.31 0.94 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.604 0.762 . . . . 0.0 110.363 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -73.72 34.61 0.08 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.514 1.125 . . . . 0.0 113.194 -175.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -131.67 170.21 15.1 Favored 'General case' 0 N--CA 1.458 -0.053 0 C-N-CA 123.813 0.845 . . . . 0.0 109.852 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -82.31 143.21 31.45 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -145.72 165.88 27.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.193 0.597 . . . . 0.0 110.69 -177.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 457' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 23.5 p -103.45 177.55 4.81 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.383 1.073 . . . . 0.0 109.166 173.291 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -58.92 -31.09 68.34 Favored 'General case' 0 CA--C 1.528 0.098 0 O-C-N 122.065 -0.397 . . . . 0.0 111.659 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 8.2 t -72.13 -48.6 42.51 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.822 0.82 . . . . 0.0 109.913 -178.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 460' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 37.6 m -80.2 -19.91 45.93 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.684 -172.478 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -67.19 -41.35 86.02 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 171.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -72.47 -16.35 61.8 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.885 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 54.3 m0 -86.71 -12.98 46.69 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.037 0.38 . . . . 0.0 111.82 175.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -109.73 -1.74 17.81 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 123.176 0.59 . . . . 0.0 111.8 175.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 465' ' ' HIS . . . . . 0.44 ' CD2' ' HD1' ' A' ' 473' ' ' HIS . 44.6 m80 -136.9 19.43 3.03 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 117.944 0.338 . . . . 0.0 111.704 -177.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 54.8 p -68.37 -26.52 65.62 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 122.523 0.329 . . . . 0.0 111.045 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.3 ptp -82.17 152.25 26.56 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 122.781 0.433 . . . . 0.0 110.795 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 468' ' ' GLU . . . . . 0.451 ' CD ' ' H ' ' A' ' 468' ' ' GLU . 1.1 pm0 -73.17 -9.44 58.72 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.627 0.371 . . . . 0.0 111.898 -178.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -81.77 -13.5 79.64 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-O 118.966 -0.908 . . . . 0.0 113.551 -176.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 66.8 mt -119.91 19.14 12.44 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 118.616 1.208 . . . . 0.0 112.0 -177.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -74.53 0.55 14.47 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -90.62 -3.19 57.71 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.351 0.66 . . . . 0.0 111.478 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 473' ' ' HIS . . . . . 0.44 ' HD1' ' CD2' ' A' ' 465' ' ' HIS . 41.3 m170 -76.13 162.98 27.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.345 0.658 . . . . 0.0 111.67 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 75.6 p -144.62 149.61 44.2 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 123.893 0.877 . . . . 0.0 109.394 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -68.63 156.11 66.62 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 123.563 2.842 . . . . 0.0 111.004 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 11.9 tp . . . . . 0 N--CA 1.453 -0.319 0 C-N-CA 123.341 0.656 . . . . 0.0 109.573 -179.304 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.464 ' HB3' ' HA ' ' A' ' 439' ' ' SER . 2.6 mm? . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 121.083 0.468 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.517 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 30.8 t -54.03 135.75 42.6 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 169.347 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -71.91 -10.42 59.75 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -173.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 39.8 mm -122.47 -26.77 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 122.378 0.271 . . . . 0.0 110.999 -176.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.1 m -105.17 -24.08 12.8 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -173.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 439' ' ' SER . . . . . 0.464 ' HA ' ' HB3' ' A' ' 434' ' ' LEU . 22.6 p 35.96 48.14 0.48 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.803 1.241 . . . . 0.0 114.131 177.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 44.7 m -131.32 -16.83 3.06 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.211 0.605 . . . . 0.0 111.822 -177.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -158.52 158.24 29.36 Favored Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 123.683 0.793 . . . . 0.0 109.284 177.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -65.39 107.46 1.01 Allowed 'Trans proline' 0 N--CA 1.449 -1.146 0 C-N-CA 122.561 2.174 . . . . 0.0 107.887 170.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -51.1 136.11 30.47 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 123.238 0.447 . . . . 0.0 112.013 -177.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -75.12 -7.83 19.4 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 124.381 3.387 . . . . 0.0 111.541 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -130.39 156.53 44.57 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.91 0.484 . . . . 0.0 111.216 -179.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -136.26 137.85 41.19 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 173.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 19.0 t -100.25 116.28 31.86 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -87.3 6.14 34.92 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -172.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.55 156.31 22.85 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.039 -0.413 . . . . 0.0 110.662 177.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -70.84 -18.56 62.71 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -172.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 27.5 m -91.56 -8.18 10.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 118.474 0.579 . . . . 0.0 111.726 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 62.5 m -113.57 -65.66 1.16 Allowed 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 22.2 t80 47.93 25.71 0.81 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.931 1.692 . . . . 0.0 114.771 175.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -140.89 173.09 11.82 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.5 0.591 . . . . 0.0 111.465 -177.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -82.59 150.0 27.13 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.537 0.735 . . . . 0.0 110.688 177.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -151.01 173.84 13.85 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.474 0.709 . . . . 0.0 110.114 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 21.5 p -125.74 174.0 8.63 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.65 1.18 . . . . 0.0 108.256 175.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -58.37 -34.26 70.49 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.938 -0.477 . . . . 0.0 112.013 -172.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 74.9 m -69.05 -48.68 62.2 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -176.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 460' ' ' CYS . . . . . 0.517 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 23.3 p -88.95 -16.73 31.06 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 111.449 0.166 . . . . 0.0 111.449 -174.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -62.75 -39.38 93.96 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 171.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -73.7 -30.28 62.77 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.589 177.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 47.1 m0 -70.06 -12.37 61.56 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.661 0.664 . . . . 0.0 111.523 178.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 27.8 mmt85 -118.69 -4.31 10.76 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 178.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -133.33 3.56 3.64 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 73.2 m -76.87 -13.79 59.96 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 121.368 -0.832 . . . . 0.0 110.591 173.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.3 ptp -73.51 151.33 41.04 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 176.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -72.02 -17.55 62.03 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -175.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -78.58 -22.06 67.91 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 118.978 -0.901 . . . . 0.0 113.827 -175.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 58.9 mt -120.56 25.04 10.01 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 118.576 1.188 . . . . 0.0 112.14 -174.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 29.5 mmt85 -68.81 -2.55 9.74 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.943 0.497 . . . . 0.0 112.163 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -97.42 -1.65 43.85 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.696 0.798 . . . . 0.0 112.47 -175.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -75.88 158.51 32.0 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 118.269 0.486 . . . . 0.0 111.128 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 54.3 p -145.97 147.82 33.46 Favored Pre-proline 0 N--CA 1.453 -0.302 0 C-N-CA 123.443 0.697 . . . . 0.0 109.79 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -71.78 161.16 45.93 Favored 'Trans proline' 0 N--CA 1.449 -1.114 0 C-N-CA 123.461 2.774 . . . . 0.0 111.336 -177.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 53.7 tp . . . . . 0 N--CA 1.454 -0.245 0 C-N-CA 123.709 0.803 . . . . 0.0 109.315 179.27 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.451 ' HB3' ' HA ' ' A' ' 439' ' ' SER . 2.7 mm? . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 121.169 0.509 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.538 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 12.0 t -56.97 137.66 55.26 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 169.36 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -78.89 -0.77 32.1 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 33.3 mm -123.44 -24.34 2.29 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 C-N-CA 122.689 0.395 . . . . 0.0 110.877 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 30.6 m -114.9 -24.85 8.44 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -172.186 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 439' ' ' SER . . . . . 0.451 ' HA ' ' HB3' ' A' ' 434' ' ' LEU . 20.3 p 41.94 39.19 1.21 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.117 0.967 . . . . 0.0 113.116 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 79.3 p -134.56 -14.13 2.23 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.584 0.754 . . . . 0.0 112.332 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -132.11 159.91 70.11 Favored Pre-proline 0 N--CA 1.456 -0.17 0 C-N-CA 123.882 0.873 . . . . 0.0 109.264 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -62.45 6.94 0.16 Allowed 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 124.949 3.766 . . . . 0.0 114.975 -175.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 57.75 58.46 14.49 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 -175.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -70.87 -11.08 28.89 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 123.967 3.112 . . . . 0.0 112.404 -169.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -121.37 151.76 39.78 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.101 0.477 . . . . 0.0 111.479 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -149.21 155.38 40.54 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.889 0.876 . . . . 0.0 108.73 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 7.6 t -131.13 162.13 30.58 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 122.744 0.417 . . . . 0.0 110.391 -176.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 48.7 tpt85 -100.59 -16.98 17.28 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 -170.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.72 155.75 24.13 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.708 0.685 . . . . 0.0 110.866 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -70.54 -4.36 22.61 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.224 0.609 . . . . 0.0 112.314 -175.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 23.3 m -101.06 -8.81 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 122.647 0.379 . . . . 0.0 111.298 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 3.9 p -146.19 32.28 1.0 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.625 0.77 . . . . 0.0 111.142 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -75.37 38.14 0.14 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.388 1.075 . . . . 0.0 112.349 -177.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -132.84 167.36 20.34 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 123.696 0.799 . . . . 0.0 110.207 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -83.13 140.14 32.78 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -143.94 170.44 15.9 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.305 0.642 . . . . 0.0 110.993 -174.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 457' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 22.6 p -116.27 179.82 3.88 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.178 1.391 . . . . 0.0 107.846 173.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 61.4 ttt85 -60.3 -31.66 70.47 Favored 'General case' 0 N--CA 1.462 0.131 0 O-C-N 121.692 -0.63 . . . . 0.0 111.813 -173.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 17.5 t -73.06 -49.72 27.01 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 120.437 0.161 . . . . 0.0 111.374 -174.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 460' ' ' CYS . . . . . 0.538 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 7.0 p -84.02 -16.18 44.87 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 119.585 -0.245 . . . . 0.0 111.422 -178.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -62.83 -39.31 93.94 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 170.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -72.35 -27.73 62.59 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.187 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.7 m0 -72.98 -10.08 59.42 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.784 0.72 . . . . 0.0 111.584 176.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -115.52 -3.96 12.32 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 118.875 -0.584 . . . . 0.0 112.317 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -138.35 14.51 2.79 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.889 0.768 . . . . 0.0 112.985 -176.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 58.5 p -72.12 -24.99 61.55 Favored 'General case' 0 C--O 1.232 0.148 0 O-C-N 122.11 -0.369 . . . . 0.0 110.981 176.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 21.7 ptp -76.44 145.38 39.32 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 122.776 0.43 . . . . 0.0 110.119 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.39 -10.02 57.92 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -175.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -80.87 -15.22 78.07 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-O 118.753 -1.026 . . . . 0.0 112.727 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 68.1 mt -123.03 13.08 9.72 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 118.606 1.203 . . . . 0.0 112.765 -176.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -74.58 4.62 5.84 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 118.738 0.699 . . . . 0.0 111.842 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -90.7 -3.99 57.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.653 0.781 . . . . 0.0 111.301 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -77.35 160.53 28.73 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.213 0.605 . . . . 0.0 111.221 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 62.8 m -138.82 132.48 16.17 Favored Pre-proline 0 C--O 1.233 0.214 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -62.09 142.08 90.97 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 122.796 2.331 . . . . 0.0 113.011 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 170.725 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 3.5 tp . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.513 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 38.4 t -60.23 127.97 34.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 173.263 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -81.1 2.77 25.92 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 32.6 mm -127.01 -23.85 1.64 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.173 0 C-N-CA 122.767 0.427 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 19.2 m -120.27 -27.36 5.26 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.883 0.473 . . . . 0.0 111.796 -173.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 19.6 p 40.18 39.25 0.62 Allowed 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 177.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 37.2 m -122.66 0.02 9.23 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 123.143 0.577 . . . . 0.0 111.497 177.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.41 155.81 45.93 Favored Pre-proline 0 N--CA 1.455 -0.224 0 C-N-CA 124.273 1.029 . . . . 0.0 109.277 -179.29 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -71.55 29.82 0.24 Allowed 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 125.005 3.804 . . . . 0.0 113.066 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 59.03 75.06 0.29 Allowed Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -70.32 -8.49 23.73 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.307 2.672 . . . . 0.0 111.604 -176.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -136.07 152.94 51.4 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.326 0.584 . . . . 0.0 111.958 178.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -151.56 151.94 32.24 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 7.2 t -121.28 141.04 51.28 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -86.75 -2.39 58.51 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -174.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -88.43 155.28 19.77 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 118.145 0.43 . . . . 0.0 110.855 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 450' ' ' GLN . . . . . 0.494 ' H ' ' CD ' ' A' ' 450' ' ' GLN . 0.0 OUTLIER -77.37 -0.74 26.85 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -174.569 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 28.8 m -102.95 -9.51 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 C-N-CA 122.497 0.319 . . . . 0.0 111.47 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 2.5 p -145.92 36.69 1.04 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.359 0.664 . . . . 0.0 110.29 177.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -74.26 41.58 0.14 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.818 1.247 . . . . 0.0 112.764 -176.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -134.89 165.6 24.94 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 123.344 0.658 . . . . 0.0 110.598 -177.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -80.25 139.85 36.49 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 121.0 0.428 . . . . 0.0 109.935 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -145.69 174.12 11.48 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.548 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 457' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 26.5 p -119.18 -178.65 3.63 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.046 1.339 . . . . 0.0 107.768 174.196 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -62.43 -26.07 68.3 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.511 -0.743 . . . . 0.0 111.932 -174.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 21.7 t -76.54 -52.72 9.21 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 117.806 0.275 . . . . 0.0 110.926 -175.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 460' ' ' CYS . . . . . 0.513 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 4.6 p -80.15 -15.49 56.98 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 111.468 0.173 . . . . 0.0 111.468 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 37.3 t-105 -64.58 -41.57 96.17 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -71.97 -19.79 61.83 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.668 177.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 53.6 m0 -81.48 -14.4 57.04 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.596 0.634 . . . . 0.0 111.813 175.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -105.32 -5.96 20.05 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.234 0.47 . . . . 0.0 111.216 175.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -134.68 23.03 3.64 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 117.827 0.285 . . . . 0.0 111.472 -177.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 53.8 p -70.1 -22.68 63.01 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 123.145 0.578 . . . . 0.0 111.496 177.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.9 ptp -94.1 140.43 29.75 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 468' ' ' GLU . . . . . 0.433 ' CD ' ' H ' ' A' ' 468' ' ' GLU . 1.0 OUTLIER -65.93 -8.78 24.36 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 -177.678 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -75.2 -15.47 81.12 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 118.686 -1.063 . . . . 0.0 112.884 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 62.8 mt -123.79 8.12 8.78 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.225 1.013 . . . . 0.0 112.619 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -78.35 7.53 6.36 Favored 'General case' 0 C--O 1.232 0.157 0 O-C-N 121.469 -0.77 . . . . 0.0 111.708 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -88.47 -3.16 58.88 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.579 0.751 . . . . 0.0 110.569 174.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -73.81 168.21 19.87 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.913 0.885 . . . . 0.0 110.804 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 78.2 p -136.16 148.33 64.14 Favored Pre-proline 0 N--CA 1.456 -0.134 0 C-N-CA 123.026 0.53 . . . . 0.0 110.188 177.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -72.35 162.18 42.26 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.694 2.929 . . . . 0.0 111.77 -177.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 16.3 tp . . . . . 0 N--CA 1.454 -0.24 0 C-N-CA 124.058 0.943 . . . . 0.0 108.634 177.529 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 21.2 tp . . . . . 0 N--CA 1.448 -0.551 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.523 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 42.5 t -58.56 146.09 36.98 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -92.54 -13.08 30.27 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -169.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 44.3 mm -114.97 -26.75 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 118.751 0.705 . . . . 0.0 111.801 -176.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 5.3 p -129.91 -22.56 2.89 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 118.911 -0.566 . . . . 0.0 111.895 -176.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 5.0 p 45.47 25.73 0.25 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.714 1.206 . . . . 0.0 113.429 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 60.5 m -82.98 -12.44 57.29 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 122.597 0.359 . . . . 0.0 111.337 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -158.13 157.58 29.34 Favored Pre-proline 0 N--CA 1.454 -0.267 0 C-N-CA 123.39 0.676 . . . . 0.0 110.02 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.33 106.21 1.17 Allowed 'Trans proline' 0 N--CA 1.452 -0.968 0 C-N-CA 122.382 2.055 . . . . 0.0 107.468 170.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -50.47 120.52 8.75 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-O 119.823 -0.432 . . . . 0.0 112.042 -175.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -76.79 -7.62 17.6 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 124.029 3.153 . . . . 0.0 111.25 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -126.67 159.23 34.25 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.232 0.539 . . . . 0.0 111.421 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -138.34 154.2 48.98 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 176.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 447' ' ' CYS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 43.4 t -131.26 131.52 43.93 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -177.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -108.57 82.51 1.62 Allowed 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.121 0.569 . . . . 0.0 110.926 -173.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -137.12 174.19 10.88 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.198 175.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -72.67 -13.21 61.3 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.264 0.625 . . . . 0.0 110.912 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 16.2 m -120.05 -14.16 8.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 C-N-CA 122.679 0.391 . . . . 0.0 111.693 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 452' ' ' CYS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 79.8 m -91.46 -97.94 0.12 Allowed 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 175.417 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 25.5 t80 54.8 32.46 17.63 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.574 1.149 . . . . 0.0 112.87 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -143.28 168.62 19.36 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.593 0.757 . . . . 0.0 110.491 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -84.86 149.63 25.55 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.072 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -148.19 170.21 18.35 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.85 0.46 . . . . 0.0 110.514 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 457' ' ' CYS . . . . . 0.416 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 23.9 p -121.22 173.45 7.3 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 174.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -57.31 -38.02 73.38 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.909 -0.494 . . . . 0.0 111.567 -171.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 73.1 m -69.16 -51.54 37.19 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -175.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 460' ' ' CYS . . . . . 0.523 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 25.0 p -84.22 -13.88 51.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.698 -175.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 17.6 t-105 -63.71 -41.17 98.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 170.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -74.09 -23.13 59.29 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.156 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 47.7 m0 -75.07 -18.7 60.25 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 118.546 0.612 . . . . 0.0 111.758 176.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -113.78 -1.61 13.89 Favored 'General case' 0 C--N 1.34 0.169 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 465' ' ' HIS . . . . . 0.508 ' CD2' ' HD1' ' A' ' 473' ' ' HIS . 38.0 m80 -132.56 9.3 4.29 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.512 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 62.9 p -76.59 -23.21 53.46 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 122.01 -0.432 . . . . 0.0 110.502 174.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 20.2 ptp -73.56 142.36 46.65 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.076 0.55 . . . . 0.0 109.981 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -66.47 -17.05 64.58 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.735 0.414 . . . . 0.0 111.703 -172.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -75.56 -18.76 79.68 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 118.88 -0.956 . . . . 0.0 113.393 -177.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 69.6 mt -124.92 16.72 8.59 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.48 1.14 . . . . 0.0 113.126 -175.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -72.28 1.26 8.02 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 121.668 -0.645 . . . . 0.0 112.203 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 53.0 p-80 -88.7 -2.6 58.68 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.197 0.599 . . . . 0.0 111.557 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 473' ' ' HIS . . . . . 0.508 ' HD1' ' CD2' ' A' ' 465' ' ' HIS . 55.8 m170 -78.87 158.99 27.99 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.183 0.515 . . . . 0.0 110.879 179.373 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 77.7 p -145.15 151.39 48.18 Favored Pre-proline 0 N--CA 1.454 -0.247 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -66.03 153.72 76.94 Favored 'Trans proline' 0 N--CA 1.45 -1.048 0 C-N-CA 123.523 2.815 . . . . 0.0 110.821 -177.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 26.1 tp . . . . . 0 N--CA 1.454 -0.23 0 C-N-CA 123.614 0.766 . . . . 0.0 109.286 -178.229 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 2.1 tp . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.494 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 38.7 t -54.45 129.95 37.73 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.219 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -80.11 1.44 27.95 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -176.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 32.9 mm -124.39 -23.86 2.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 122.754 0.422 . . . . 0.0 110.575 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 18.7 m -119.13 -28.33 5.49 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.614 0.366 . . . . 0.0 111.375 -174.177 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 12.2 p 38.03 38.26 0.18 Allowed 'General case' 0 C--N 1.339 0.151 0 C-N-CA 125.717 1.607 . . . . 0.0 114.507 177.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 75.3 m -110.06 -11.62 14.6 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.646 0.378 . . . . 0.0 111.826 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -159.87 161.94 25.53 Favored Pre-proline 0 N--CA 1.453 -0.304 0 C-N-CA 122.856 0.463 . . . . 0.0 109.961 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.62 108.01 0.38 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 123.127 2.551 . . . . 0.0 108.141 169.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -52.63 122.63 20.16 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -177.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -75.08 -7.89 19.49 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.944 3.096 . . . . 0.0 112.187 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -126.0 148.03 49.39 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 118.392 0.542 . . . . 0.0 112.264 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -154.57 152.03 29.55 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.287 1.035 . . . . 0.0 109.506 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 68.7 m -116.54 142.16 47.24 Favored 'General case' 0 C--O 1.23 0.077 0 C-N-CA 123.137 0.575 . . . . 0.0 110.417 176.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -82.65 -4.73 58.19 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.836 174.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.84 153.97 36.46 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.524 0.73 . . . . 0.0 110.103 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -80.41 -16.01 55.47 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -174.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 34.8 m -84.62 -14.34 11.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 O-C-N 122.028 -0.42 . . . . 0.0 112.092 -177.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 452' ' ' CYS . . . . . 0.41 ' SG ' ' CE1' ' A' ' 473' ' ' HIS . 14.9 p -148.55 43.89 1.02 Allowed 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.177 0.591 . . . . 0.0 110.053 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -73.14 41.3 0.1 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.636 1.174 . . . . 0.0 111.892 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -132.37 168.95 17.23 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.144 0.978 . . . . 0.0 110.075 -177.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -87.35 147.15 25.61 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.892 0.377 . . . . 0.0 110.603 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -146.5 172.21 13.89 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.451 0.7 . . . . 0.0 110.409 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 457' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 18.8 p -125.54 178.92 5.37 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.969 1.308 . . . . 0.0 108.513 176.38 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -55.29 -38.88 69.2 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 121.594 -0.691 . . . . 0.0 112.051 -172.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 73.3 m -68.04 -50.28 56.24 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.499 0.319 . . . . 0.0 111.66 -175.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 460' ' ' CYS . . . . . 0.494 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 8.9 p -87.56 -15.95 35.98 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -174.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -62.36 -40.48 96.56 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 171.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -74.83 -27.08 60.14 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.879 177.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 43.2 m0 -72.95 -7.62 51.88 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.308 0.504 . . . . 0.0 111.431 175.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -123.92 -2.69 8.22 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 177.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -139.55 2.73 2.05 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -177.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 37.3 t -75.6 -21.0 58.19 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 118.796 0.726 . . . . 0.0 109.929 175.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.7 ptp -69.06 144.64 53.93 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 175.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 468' ' ' GLU . . . . . 0.446 ' CD ' ' H ' ' A' ' 468' ' ' GLU . 1.2 pm0 -70.26 -6.77 37.2 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -175.081 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -81.99 -22.11 59.97 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-O 118.999 -0.889 . . . . 0.0 113.376 -177.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 67.4 mt -123.92 18.89 9.33 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.478 1.139 . . . . 0.0 112.955 -174.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -73.24 1.3 9.66 Favored 'General case' 0 N--CA 1.462 0.174 0 O-C-N 121.653 -0.654 . . . . 0.0 111.862 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 55.3 p-80 -92.62 -0.72 57.27 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.442 0.697 . . . . 0.0 111.828 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 473' ' ' HIS . . . . . 0.41 ' CE1' ' SG ' ' A' ' 452' ' ' CYS . 49.5 m170 -75.55 162.64 28.12 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.053 0.454 . . . . 0.0 110.568 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 43.6 t -130.91 137.03 29.84 Favored Pre-proline 0 N--CA 1.452 -0.327 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 176.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.1 155.98 66.46 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.097 2.531 . . . . 0.0 111.597 -175.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 25.1 tp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 177.883 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.67 0.272 . . . . 0.0 111.465 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 35.8 t -56.62 134.2 54.31 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 175.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -83.13 1.48 40.2 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -175.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 34.2 mm -124.92 -24.58 1.92 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.147 0 C-N-CA 122.759 0.424 . . . . 0.0 110.257 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 17.4 m -116.7 -28.05 6.49 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -173.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 12.8 p 37.05 42.61 0.26 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.273 1.429 . . . . 0.0 114.018 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 12.7 t -123.84 -10.24 7.75 Favored 'General case' 0 CA--C 1.527 0.069 0 C-N-CA 122.535 0.334 . . . . 0.0 111.092 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -150.14 155.98 37.48 Favored Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 123.534 0.734 . . . . 0.0 109.731 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -71.58 11.56 0.62 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 124.524 3.483 . . . . 0.0 112.859 -176.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 68.64 101.39 0.03 OUTLIER Glycine 0 CA--C 1.532 1.107 0 C-N-CA 123.556 0.598 . . . . 0.0 111.796 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -74.97 -10.53 21.31 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 123.138 2.559 . . . . 0.0 111.249 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -128.64 162.6 26.94 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.011 0.524 . . . . 0.0 111.989 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -143.25 159.9 41.46 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.265 1.026 . . . . 0.0 108.677 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 45.3 t -130.79 130.97 44.38 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 122.928 0.491 . . . . 0.0 109.676 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -87.29 -3.41 59.04 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -171.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -80.37 155.95 26.94 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.485 0.584 . . . . 0.0 111.334 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -73.76 -9.49 58.71 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -174.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 33.1 m -95.49 -8.25 9.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 118.165 0.439 . . . . 0.0 110.73 176.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 61.8 m -110.9 -73.46 0.68 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 27.0 t80 48.61 23.05 0.57 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.784 1.634 . . . . 0.0 114.269 175.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -142.67 168.33 19.97 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 123.091 0.557 . . . . 0.0 110.96 -177.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -81.42 146.1 30.45 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.102 176.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -150.15 175.78 11.43 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.502 0.721 . . . . 0.0 110.265 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 457' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 14.4 p -120.24 170.35 9.41 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.402 1.081 . . . . 0.0 109.155 177.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -63.14 -24.54 67.94 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 121.768 -0.583 . . . . 0.0 112.28 -174.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 72.7 m -70.02 -55.63 9.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 122.125 -0.359 . . . . 0.0 110.533 -177.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 460' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 15.2 p -80.85 -16.87 52.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.947 -176.105 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 19.9 t-105 -60.82 -45.84 92.88 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 171.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -78.8 -10.38 59.76 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 117.796 0.271 . . . . 0.0 111.594 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 45.7 m0 -85.42 -10.43 56.22 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.554 0.615 . . . . 0.0 111.617 174.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -126.41 -24.53 3.62 Favored 'General case' 0 C--O 1.225 -0.224 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -94.79 14.01 22.75 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.799 0.727 . . . . 0.0 112.473 -176.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 66.0 m -102.47 11.05 38.5 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.214 0.606 . . . . 0.0 112.121 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.3 ptp -115.4 154.56 29.0 Favored 'General case' 0 C--N 1.335 -0.059 0 C-N-CA 123.113 0.565 . . . . 0.0 110.169 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.94 -22.51 49.29 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 -172.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -79.46 -5.71 89.17 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-O 119.494 -0.615 . . . . 0.0 112.986 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.0 mp -139.66 3.78 2.1 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.169 0.985 . . . . 0.0 113.242 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -76.38 15.53 0.58 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 118.94 0.791 . . . . 0.0 112.012 178.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -122.9 7.98 9.33 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.093 0.557 . . . . 0.0 112.088 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -81.34 168.12 18.75 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.859 0.361 . . . . 0.0 110.75 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 78.6 p -127.48 144.82 52.28 Favored Pre-proline 0 N--CA 1.455 -0.217 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -74.58 156.57 44.91 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 123.613 2.875 . . . . 0.0 111.851 -176.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 17.2 tp . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 174.7 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.437 HD21 ' HB2' ' A' ' 439' ' ' SER . 17.1 tp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.841 -0.059 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.566 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 50.5 t -54.92 144.12 23.99 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.475 0.31 . . . . 0.0 110.188 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -95.15 -18.52 20.86 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -170.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 41.3 mm -103.6 -23.2 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 118.361 0.528 . . . . 0.0 111.302 -176.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.434 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 6.5 p -141.22 -16.16 0.84 Allowed 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -176.2 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 439' ' ' SER . . . . . 0.437 ' HB2' HD21 ' A' ' 434' ' ' LEU . 4.0 p 45.2 26.31 0.24 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.287 1.035 . . . . 0.0 113.362 178.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 64.7 m -90.67 -7.33 52.93 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.91 0.484 . . . . 0.0 111.791 -178.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -141.1 158.93 63.42 Favored Pre-proline 0 CA--C 1.53 0.209 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 176.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -60.72 8.93 0.08 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.585 1 C-N-CA 125.427 4.085 . . . . 0.0 115.021 -178.638 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 70.77 62.19 3.72 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -175.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -69.43 -10.58 29.19 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 124.009 3.139 . . . . 0.0 111.982 -173.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -133.43 156.73 47.18 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.069 0.462 . . . . 0.0 111.304 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -130.45 156.25 45.08 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.501 1.121 . . . . 0.0 109.447 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 19.3 t -120.85 139.38 53.25 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 32.1 ttp-105 -88.19 -19.72 26.52 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -168.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.98 157.74 24.13 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 118.49 0.586 . . . . 0.0 111.595 -175.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -74.48 -8.98 58.1 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -177.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 30.6 m -89.47 -11.69 10.11 Favored 'Isoleucine or valine' 0 C--N 1.338 0.079 0 CA-C-N 117.77 0.259 . . . . 0.0 111.111 177.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 67.5 m -112.1 -63.25 1.45 Allowed 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 175.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 19.4 t80 47.16 20.56 0.14 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.517 1.927 . . . . 0.0 115.754 173.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -142.03 175.93 9.35 Favored 'General case' 0 C--O 1.23 0.069 0 O-C-N 121.612 -0.68 . . . . 0.0 110.938 -177.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -87.4 149.87 24.18 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.85 0.46 . . . . 0.0 109.963 176.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -149.45 173.48 13.52 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.484 0.714 . . . . 0.0 110.1 -176.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 457' ' ' CYS . . . . . 0.434 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 28.3 p -114.8 172.75 6.85 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 173.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -64.44 -26.72 68.57 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.52 -0.737 . . . . 0.0 111.76 -173.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 23.2 t -72.14 -50.94 23.89 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 117.667 0.212 . . . . 0.0 110.858 -176.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 460' ' ' CYS . . . . . 0.566 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 15.2 p -82.92 -13.59 55.79 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 122.389 -0.194 . . . . 0.0 111.201 -179.218 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -61.31 -40.92 95.95 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 169.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -72.48 -26.81 61.94 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.672 176.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.9 m0 -73.13 -11.66 60.62 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.651 0.66 . . . . 0.0 111.676 177.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 87.8 mmt-85 -120.72 -0.89 10.09 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -134.95 12.23 3.63 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.233 0.47 . . . . 0.0 112.219 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 63.8 p -76.92 -19.07 57.84 Favored 'General case' 0 C--O 1.232 0.139 0 O-C-N 121.939 -0.476 . . . . 0.0 110.922 175.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 20.5 ptp -77.03 150.37 35.79 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.364 0.666 . . . . 0.0 109.818 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.3 -8.74 57.46 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -174.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -85.91 -18.11 60.25 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-O 118.977 -0.902 . . . . 0.0 113.391 -176.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 59.2 mt -118.7 20.92 12.75 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.607 1.203 . . . . 0.0 112.189 -176.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -68.62 -5.35 19.5 Favored 'General case' 0 N--CA 1.461 0.111 0 O-C-N 121.853 -0.529 . . . . 0.0 112.189 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -91.0 -2.76 57.65 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.227 0.611 . . . . 0.0 112.397 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -77.15 156.25 31.75 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.17 0.441 . . . . 0.0 110.007 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 66.0 p -136.68 146.69 56.43 Favored Pre-proline 0 N--CA 1.456 -0.146 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 176.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -73.61 113.84 3.88 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 123.126 2.551 . . . . 0.0 111.786 -173.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 N--CA 1.455 -0.213 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 170.19 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.4 HD21 ' HB2' ' A' ' 439' ' ' SER . 30.4 tp . . . . . 0 N--CA 1.445 -0.676 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.533 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 42.1 t -56.26 137.86 51.42 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.404 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -84.24 -15.71 45.87 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -168.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 43.2 mm -115.84 -24.93 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 118.985 0.812 . . . . 0.0 112.113 -174.449 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 7.0 p -133.16 -18.12 2.32 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -176.442 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 439' ' ' SER . . . . . 0.4 ' HB2' HD21 ' A' ' 434' ' ' LEU . 5.6 p 44.47 30.29 0.48 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.266 1.027 . . . . 0.0 113.581 176.913 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 18.1 t -86.48 -16.97 35.42 Favored 'General case' 0 CA--C 1.528 0.13 0 O-C-N 122.218 -0.301 . . . . 0.0 111.408 -178.242 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -151.38 156.5 34.92 Favored Pre-proline 0 C--O 1.233 0.207 0 C-N-CA 123.875 0.87 . . . . 0.0 109.48 -179.374 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -68.86 21.53 0.14 Allowed 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 124.976 3.784 . . . . 0.0 113.978 -173.765 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 67.5 94.32 0.04 OUTLIER Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.156 0.884 . . . . 0.0 112.424 176.354 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -74.27 -9.8 22.03 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 123.48 2.787 . . . . 0.0 111.35 176.783 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -133.68 161.29 35.06 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.22 0.608 . . . . 0.0 111.013 -179.662 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -141.45 154.64 45.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.964 0.905 . . . . 0.0 109.208 177.571 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 447' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 49.2 t -134.71 133.26 39.8 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 178.935 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -105.34 15.44 27.27 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -170.775 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.53 168.99 15.1 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 121.852 -0.53 . . . . 0.0 111.806 -179.053 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -69.34 -20.75 63.86 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.691 0.397 . . . . 0.0 110.832 178.453 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 24.9 m -100.84 -20.29 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 119.283 -0.389 . . . . 0.0 111.638 178.242 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 452' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 71.7 m -92.92 -83.47 0.31 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.272 0.487 . . . . 0.0 111.028 178.149 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 23.3 t80 53.07 22.91 2.71 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.107 1.363 . . . . 0.0 113.603 -179.636 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -143.99 173.64 11.54 Favored 'General case' 0 C--N 1.34 0.16 0 O-C-N 121.821 -0.549 . . . . 0.0 111.559 -177.687 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -84.91 150.53 24.9 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.49 0.716 . . . . 0.0 110.567 178.223 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -149.04 174.52 12.21 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.698 0.799 . . . . 0.0 109.662 -179.635 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 457' ' ' CYS . . . . . 0.447 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 26.3 p -123.99 175.61 6.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.479 0.712 . . . . 0.0 109.532 176.473 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.99 -34.33 65.66 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -174.274 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 51.7 m -75.47 -53.48 8.6 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 122.198 -0.314 . . . . 0.0 111.061 -174.679 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 460' ' ' CYS . . . . . 0.533 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 8.8 p -79.61 -17.56 53.57 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.831 -0.168 . . . . 0.0 111.393 -175.836 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -62.71 -45.89 90.64 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 170.574 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -77.98 -7.96 57.52 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 52.4 m0 -84.79 -18.26 35.57 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 118.518 0.599 . . . . 0.0 111.726 173.631 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -120.47 -21.47 6.8 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.366 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -100.52 8.7 43.34 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 118.687 0.676 . . . . 0.0 111.99 -177.92 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 73.3 p -86.99 -15.18 39.51 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 122.932 0.493 . . . . 0.0 111.752 177.686 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.5 ptp -94.65 156.33 16.47 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.055 0.542 . . . . 0.0 110.468 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -71.78 -8.06 51.96 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -173.505 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -80.41 -12.64 82.83 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.695 -0.503 . . . . 0.0 112.002 177.339 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.3 mp -137.6 11.01 2.94 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 117.908 0.854 . . . . 0.0 112.135 179.772 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -69.41 -4.85 20.21 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 121.721 -0.612 . . . . 0.0 112.492 -176.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -99.7 3.44 45.04 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.929 0.892 . . . . 0.0 112.223 -176.472 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -79.95 161.73 25.34 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 122.553 0.341 . . . . 0.0 110.556 -178.663 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 68.1 m -134.58 147.3 62.69 Favored Pre-proline 0 N--CA 1.456 -0.145 0 C-N-CA 123.183 0.593 . . . . 0.0 109.478 178.203 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.26 154.55 69.56 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 123.59 2.86 . . . . 0.0 111.399 -177.138 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 13.8 tp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.21 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.42 HD21 ' HB2' ' A' ' 439' ' ' SER . 25.1 tp . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 42.2 t -60.18 145.9 45.38 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.568 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -97.09 -12.68 22.88 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -171.383 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 45.2 mm -108.16 -27.15 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 118.326 0.512 . . . . 0.0 111.159 -176.678 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 10.7 p -136.01 -18.38 1.58 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 118.888 -0.577 . . . . 0.0 112.459 -176.324 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 439' ' ' SER . . . . . 0.42 ' HB2' HD21 ' A' ' 434' ' ' LEU . 5.9 p 43.25 27.87 0.14 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.495 1.118 . . . . 0.0 113.434 179.27 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 58.9 m -93.94 -10.83 32.45 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.255 0.622 . . . . 0.0 110.224 179.374 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -139.34 160.83 60.37 Favored Pre-proline 0 N--CA 1.448 -0.575 0 C-N-CA 123.467 0.707 . . . . 0.0 109.423 -177.636 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -59.68 -2.85 1.69 Allowed 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 124.827 3.684 . . . . 0.0 115.329 -172.831 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 67.69 58.11 8.1 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.436 -1.065 . . . . 0.0 110.436 -176.668 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -72.56 -8.02 21.84 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 124.099 3.199 . . . . 0.0 112.312 -173.428 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -125.41 162.25 25.24 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.849 0.357 . . . . 0.0 111.659 -177.589 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -147.29 146.54 29.77 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.129 0.972 . . . . 0.0 108.913 177.916 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 5.1 t -113.03 158.05 20.78 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 122.498 0.319 . . . . 0.0 111.009 -177.799 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -129.96 61.11 1.58 Allowed 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 122.958 0.503 . . . . 0.0 111.595 -172.081 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -132.97 178.23 7.04 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.033 0.444 . . . . 0.0 111.271 177.145 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -82.86 -18.35 40.62 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.244 0.618 . . . . 0.0 109.921 177.156 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 20.1 m -100.89 -21.14 5.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 119.384 -0.341 . . . . 0.0 111.593 179.207 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 4.3 p -140.81 123.5 16.16 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.109 0.413 . . . . 0.0 109.919 172.817 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -149.61 32.38 0.71 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.299 0.64 . . . . 0.0 110.713 -175.348 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -123.9 179.04 4.98 Favored 'General case' 0 N--CA 1.458 -0.059 0 C-N-CA 123.87 0.868 . . . . 0.0 109.897 -178.301 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -85.1 147.87 26.42 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.147 175.638 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -145.61 173.41 12.08 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.504 0.722 . . . . 0.0 109.916 -176.906 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 457' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 27.7 p -126.12 176.18 7.22 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.558 1.143 . . . . 0.0 108.296 174.593 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -58.85 -31.83 68.88 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 121.82 -0.55 . . . . 0.0 111.721 -172.328 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 19.5 t -72.61 -51.02 21.44 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 122.355 -0.215 . . . . 0.0 111.316 -174.744 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 460' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 7.7 p -84.18 -17.61 39.4 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 119.676 -0.202 . . . . 0.0 111.451 -177.193 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 49.5 t-105 -63.29 -38.45 91.21 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 171.751 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -74.96 -26.66 59.76 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.013 177.049 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -69.16 -16.84 63.73 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.817 0.735 . . . . 0.0 111.504 176.806 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 27.6 mmt85 -115.19 -6.13 12.43 Favored 'General case' 0 C--N 1.34 0.168 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 465' ' ' HIS . . . . . 0.468 ' CD2' ' HD1' ' A' ' 473' ' ' HIS . 32.1 m80 -135.2 11.65 3.55 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -175.665 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 73.8 p -75.0 -17.7 60.49 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-N 118.376 0.534 . . . . 0.0 110.96 175.547 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 21.9 ptp -83.31 151.0 25.78 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.633 0.773 . . . . 0.0 110.842 -179.683 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -76.4 -4.95 45.09 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -178.063 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -81.32 -21.99 61.45 Favored Glycine 0 C--N 1.338 0.666 0 CA-C-O 119.211 -0.772 . . . . 0.0 112.636 179.381 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 79.1 mt -127.79 15.59 6.93 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 117.911 0.856 . . . . 0.0 111.809 -177.405 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -69.3 -1.4 8.06 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -178.611 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 -88.85 -6.02 57.63 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.171 0.588 . . . . 0.0 112.011 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 473' ' ' HIS . . . . . 0.468 ' HD1' ' CD2' ' A' ' 465' ' ' HIS . 61.6 m170 -74.57 158.78 33.11 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.185 0.517 . . . . 0.0 110.96 178.612 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 61.2 p -141.83 140.12 19.42 Favored Pre-proline 0 N--CA 1.453 -0.287 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 175.526 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -74.79 142.59 28.77 Favored 'Trans proline' 0 N--CA 1.45 -1.079 0 C-N-CA 123.034 2.489 . . . . 0.0 111.795 -175.115 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 10.6 mp . . . . . 0 CA--C 1.529 0.147 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 173.045 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 439' ' ' SER . 16.8 tp . . . . . 0 N--CA 1.448 -0.555 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.543 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 38.4 t -63.13 149.51 45.05 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.652 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -101.71 -15.24 17.06 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -172.91 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 46.0 mm -99.52 -26.76 3.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 CA-C-N 118.329 0.513 . . . . 0.0 110.978 -178.02 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 7.9 p -141.42 -14.53 0.86 Allowed 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -176.069 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 439' ' ' SER . . . . . 0.484 ' HB2' HD21 ' A' ' 434' ' ' LEU . 3.9 p 44.97 28.11 0.34 Allowed 'General case' 0 C--N 1.342 0.262 0 C-N-CA 124.211 1.004 . . . . 0.0 113.652 179.002 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 23.0 t -85.94 -21.01 28.12 Favored 'General case' 0 CA--C 1.527 0.064 0 O-C-N 121.773 -0.579 . . . . 0.0 111.189 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -130.6 163.01 51.4 Favored Pre-proline 0 N--CA 1.453 -0.298 0 C-N-CA 123.575 0.75 . . . . 0.0 109.832 -179.016 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -61.51 15.56 0.05 OUTLIER 'Trans proline' 0 CA--C 1.536 0.59 1 C-N-CA 125.637 4.225 . . . . 0.0 115.237 -178.629 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 60.48 58.7 12.57 Favored Glycine 0 C--N 1.337 0.626 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 -177.929 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -70.44 -8.75 24.35 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 123.998 3.132 . . . . 0.0 112.03 -173.774 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -130.17 157.8 41.44 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.295 0.569 . . . . 0.0 111.385 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -146.86 155.71 42.54 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.66 1.184 . . . . 0.0 107.951 176.342 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 6.4 t -127.29 147.38 50.24 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -124.64 71.91 1.18 Allowed 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.2 0.6 . . . . 0.0 110.026 -177.577 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -130.21 178.08 6.84 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.754 179.286 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 10.2 pm0 -86.97 2.27 50.02 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 122.668 0.387 . . . . 0.0 111.54 177.596 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 32.8 m -120.48 -21.36 4.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-N 118.089 0.404 . . . . 0.0 111.496 175.309 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 8.2 p -140.07 136.56 33.76 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.311 0.505 . . . . 0.0 110.335 174.231 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -151.01 35.1 0.59 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.382 -175.852 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -130.91 176.55 8.14 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 122.993 0.517 . . . . 0.0 110.782 -175.384 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -85.95 149.59 25.09 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.796 178.037 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -147.49 174.33 11.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.771 0.828 . . . . 0.0 109.973 -178.168 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 457' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 27.1 p -127.6 177.05 7.04 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.929 1.292 . . . . 0.0 108.167 175.267 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -58.84 -31.44 68.5 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.904 -0.497 . . . . 0.0 111.358 -174.289 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 57.9 m -72.08 -55.18 7.79 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 117.601 0.182 . . . . 0.0 111.472 -176.891 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 460' ' ' CYS . . . . . 0.543 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 13.9 p -81.75 -19.74 40.74 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 -174.89 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -61.41 -45.46 94.22 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 171.9 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -75.78 -15.06 60.31 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 119.408 -0.33 . . . . 0.0 111.736 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 463' ' ' TRP . . . . . 0.4 ' CD2' ' HA ' ' A' ' 460' ' ' CYS . 53.7 m0 -73.14 -23.07 60.42 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.812 0.733 . . . . 0.0 111.321 175.41 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -121.63 -21.0 6.32 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -179.767 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -100.79 10.79 40.7 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.871 0.759 . . . . 0.0 112.479 -178.192 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 16.8 t -100.34 10.81 40.68 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 122.658 0.383 . . . . 0.0 111.118 178.016 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.4 ptp -115.2 159.89 20.39 Favored 'General case' 0 C--O 1.227 -0.089 0 C-N-CA 123.321 0.648 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -60.55 -18.65 53.83 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.406 0.682 . . . . 0.0 112.378 -174.293 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -82.89 -14.94 74.05 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 119.026 -0.875 . . . . 0.0 113.797 -177.085 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.1 mp -142.11 5.96 1.72 Allowed 'General case' 0 C--N 1.342 0.241 0 CA-C-N 118.798 1.299 . . . . 0.0 113.474 -178.321 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -67.3 -3.35 7.77 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 119.064 0.847 . . . . 0.0 112.59 -177.537 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -97.57 -0.67 45.42 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.973 0.909 . . . . 0.0 111.971 -178.467 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -77.47 167.31 21.86 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 121.054 0.454 . . . . 0.0 110.908 -179.549 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 49.1 m -135.07 146.95 60.54 Favored Pre-proline 0 N--CA 1.455 -0.179 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 177.206 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -69.31 157.66 60.44 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.468 2.779 . . . . 0.0 111.653 -177.261 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 15.2 tp . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.533 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.452 ' HB3' ' HA ' ' A' ' 439' ' ' SER . 2.6 mm? . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 121.187 0.518 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.511 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 23.1 t -53.05 136.24 35.74 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 169.609 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -69.37 -13.02 62.15 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -173.417 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 40.1 mm -123.24 -27.68 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 118.099 0.409 . . . . 0.0 111.431 -176.145 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.9 m -103.56 -22.04 13.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -172.888 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 439' ' ' SER . . . . . 0.452 ' HA ' ' HB3' ' A' ' 434' ' ' LEU . 20.9 p 35.27 51.59 0.61 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.142 1.377 . . . . 0.0 113.975 177.092 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 38.4 t -133.7 -26.51 1.58 Allowed 'General case' 0 CA--C 1.525 -0.019 0 C-N-CA 122.288 0.235 . . . . 0.0 111.523 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -137.2 161.65 59.92 Favored Pre-proline 0 N--CA 1.451 -0.417 0 C-N-CA 123.995 0.918 . . . . 0.0 108.672 -178.329 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -61.78 -7.43 9.29 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 124.078 3.186 . . . . 0.0 113.04 179.255 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 78.07 120.7 0.24 Allowed Glycine 0 CA--C 1.529 0.907 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -176.909 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -75.32 -10.59 20.77 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.461 2.774 . . . . 0.0 111.677 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -136.56 163.68 29.97 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-O 121.392 0.615 . . . . 0.0 111.53 -178.197 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -137.24 151.45 48.73 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.475 1.11 . . . . 0.0 108.409 176.513 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 447' ' ' CYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 14.0 t -123.5 130.84 53.28 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -179.083 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -129.71 89.72 2.87 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.546 0.738 . . . . 0.0 110.173 -173.779 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -136.75 -172.57 3.2 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.041 177.003 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -69.9 -12.31 61.52 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 122.663 0.385 . . . . 0.0 110.259 177.295 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 28.3 m -127.49 -11.88 3.79 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 123.008 0.523 . . . . 0.0 112.052 179.093 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 452' ' ' CYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 96.7 m -111.17 135.99 50.88 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.332 0.515 . . . . 0.0 110.499 178.294 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -157.95 24.54 0.26 Allowed 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 111.537 0.199 . . . . 0.0 111.537 179.611 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -137.89 171.76 13.95 Favored 'General case' 0 C--O 1.228 -0.037 0 O-C-N 121.824 -0.547 . . . . 0.0 111.521 -174.721 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -81.44 152.09 27.57 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.214 0.606 . . . . 0.0 111.053 178.947 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -149.63 176.08 10.98 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 123.892 0.877 . . . . 0.0 109.819 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 23.1 p -131.05 174.24 10.21 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.443 1.097 . . . . 0.0 108.825 175.948 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -57.79 -37.56 73.94 Favored 'General case' 0 N--CA 1.461 0.081 0 O-C-N 122.088 -0.383 . . . . 0.0 111.976 -172.319 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 74.8 m -66.91 -49.69 64.79 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -176.475 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 460' ' ' CYS . . . . . 0.511 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 25.3 p -87.57 -15.68 36.73 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -175.554 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -61.4 -41.21 96.77 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 171.827 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -74.96 -29.51 60.94 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.826 177.828 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -69.1 -10.1 55.94 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.624 -0.673 . . . . 0.0 111.177 176.502 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -122.44 -4.82 8.8 Favored 'General case' 0 C--N 1.34 0.169 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 179.218 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -141.29 2.93 1.71 Allowed 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -175.26 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 47.6 t -72.95 -23.88 60.73 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 118.769 0.713 . . . . 0.0 111.482 -178.627 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.88 158.08 18.8 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.964 0.412 . . . . 0.0 110.311 178.826 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.98 -2.01 13.93 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -176.391 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -73.98 -27.94 65.59 Favored Glycine 0 CA--C 1.524 0.632 0 CA-C-O 119.05 -0.861 . . . . 0.0 112.28 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 91.6 mt -137.24 22.13 2.99 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 118.278 1.039 . . . . 0.0 111.542 -178.573 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -68.72 -1.84 7.89 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -177.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 53.9 p-80 -87.52 -3.98 58.99 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.23 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -77.33 156.06 31.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.968 0.349 . . . . 0.0 110.778 178.367 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 474' ' ' SER . . . . . 0.422 ' HA ' ' HD3' ' A' ' 475' ' ' PRO . 65.8 m -137.6 141.63 34.04 Favored Pre-proline 0 N--CA 1.456 -0.162 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 176.409 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 475' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 474' ' ' SER . 32.9 Cg_exo -62.62 142.59 90.3 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 123.065 2.51 . . . . 0.0 113.204 -177.035 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.456 -0.138 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 169.966 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' A' ' 439' ' ' SER . 32.4 tp . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.515 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 37.8 t -58.14 143.38 44.14 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.226 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -106.48 2.81 26.57 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -174.856 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 51.8 mm -109.68 -25.73 3.48 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-N 117.957 0.344 . . . . 0.0 110.38 178.599 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.447 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 7.8 p -145.3 -20.47 0.48 Allowed 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -177.941 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 439' ' ' SER . . . . . 0.459 ' HB2' HD21 ' A' ' 434' ' ' LEU . 6.8 p 46.25 25.95 0.41 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 65.0 m -95.37 -7.76 37.58 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 122.037 -0.414 . . . . 0.0 111.626 -179.174 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -134.18 160.87 66.85 Favored Pre-proline 0 N--CA 1.454 -0.267 0 C-N-CA 124.178 0.991 . . . . 0.0 108.469 177.045 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -59.35 1.5 0.35 Allowed 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 124.915 3.743 . . . . 0.0 115.354 -173.308 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 66.84 56.85 11.07 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 -177.308 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -72.36 -8.7 23.13 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 124.005 3.136 . . . . 0.0 112.076 -173.567 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -127.47 155.07 44.29 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.046 0.45 . . . . 0.0 111.927 -177.708 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -148.22 151.48 35.56 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.995 0.918 . . . . 0.0 108.81 176.758 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 447' ' ' CYS . . . . . 0.475 ' HG ' ' HG ' ' A' ' 452' ' ' CYS . 6.9 t -129.56 156.34 44.33 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.523 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 17.9 ptm180 -114.96 5.23 14.98 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -169.514 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -86.96 159.19 19.09 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 118.427 0.558 . . . . 0.0 111.205 178.85 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -71.31 -4.94 28.74 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.838 0.455 . . . . 0.0 111.865 -175.575 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 35.5 m -106.11 -5.65 10.03 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 C-N-CA 122.821 0.448 . . . . 0.0 111.644 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 452' ' ' CYS . . . . . 0.475 ' HG ' ' HG ' ' A' ' 447' ' ' CYS . 6.9 p -153.44 42.51 0.57 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.914 0.486 . . . . 0.0 110.548 178.585 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -71.48 31.0 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.478 1.111 . . . . 0.0 113.171 -177.768 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -128.5 177.62 6.87 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.595 0.758 . . . . 0.0 111.296 -174.367 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -88.44 151.33 22.63 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.724 0.41 . . . . 0.0 110.437 175.878 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -146.4 172.92 12.78 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.488 0.661 . . . . 0.0 110.763 -177.134 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 457' ' ' CYS . . . . . 0.447 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 13.6 p -131.03 179.07 6.22 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.216 1.406 . . . . 0.0 107.598 174.165 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -57.91 -34.15 69.52 Favored 'General case' 0 CA--C 1.529 0.136 0 O-C-N 121.631 -0.668 . . . . 0.0 112.029 -171.608 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 69.6 m -71.81 -46.87 56.71 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -175.702 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 460' ' ' CYS . . . . . 0.529 ' HA ' ' HB3' ' A' ' 463' ' ' TRP . 8.3 p -90.56 -16.69 28.32 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 122.225 0.21 . . . . 0.0 111.561 -175.529 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -67.21 -46.66 73.2 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 173.333 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -72.53 -25.63 61.45 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.21 178.797 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 463' ' ' TRP . . . . . 0.529 ' HB3' ' HA ' ' A' ' 460' ' ' CYS . 72.7 t90 -67.84 -19.2 65.02 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 122.251 -0.281 . . . . 0.0 111.002 176.186 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.1 tpp85 -112.96 -21.31 11.18 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -120.02 1.77 10.92 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -173.533 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 466' ' ' SER . . . . . 0.454 ' HA ' ' HE ' ' A' ' 471' ' ' ARG . 8.2 t -100.11 7.65 44.46 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.964 0.802 . . . . 0.0 111.975 179.518 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 23.1 ptp -87.33 17.46 4.4 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 122.986 0.514 . . . . 0.0 111.66 178.813 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 61.66 -8.49 0.09 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.895 1.678 . . . . 0.0 113.97 179.783 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -84.22 -22.81 53.68 Favored Glycine 0 CA--C 1.523 0.568 0 CA-C-O 119.252 -0.749 . . . . 0.0 112.658 -179.027 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 78.5 mt -126.27 22.31 7.19 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 118.057 0.928 . . . . 0.0 111.691 -177.026 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 471' ' ' ARG . . . . . 0.454 ' HE ' ' HA ' ' A' ' 466' ' ' SER . 21.8 mmt85 -67.38 -2.03 5.61 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 121.844 -0.535 . . . . 0.0 112.396 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -89.93 -3.69 57.9 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.006 0.522 . . . . 0.0 111.758 177.839 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 43.1 m170 -79.39 165.23 23.33 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.769 0.427 . . . . 0.0 110.63 177.624 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 40.8 t -141.16 137.63 17.0 Favored Pre-proline 0 N--CA 1.453 -0.29 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 175.939 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -73.35 141.67 32.29 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 122.996 2.464 . . . . 0.0 111.899 -176.897 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 N--CA 1.454 -0.233 0 C-N-CA 123.908 0.883 . . . . 0.0 109.062 174.611 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 439' ' ' SER . 29.1 tp . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.525 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 38.5 t -55.76 140.77 40.81 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 176.908 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -99.87 -9.8 22.47 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -172.943 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 38.8 mm -100.08 -25.79 3.81 Favored 'Isoleucine or valine' 0 C--O 1.23 0.057 0 CA-C-N 117.958 0.344 . . . . 0.0 110.887 -178.087 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.459 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 12.4 p -144.18 -18.08 0.57 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -176.362 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 439' ' ' SER . . . . . 0.422 ' HB2' HD21 ' A' ' 434' ' ' LEU . 7.3 p 43.97 27.18 0.17 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.586 1.154 . . . . 0.0 113.588 178.748 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 68.7 m -96.72 -6.33 36.62 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.866 0.466 . . . . 0.0 112.002 -178.483 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -135.97 159.51 70.84 Favored Pre-proline 0 N--CA 1.454 -0.228 0 C-N-CA 124.32 1.048 . . . . 0.0 108.678 176.26 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -60.87 3.55 0.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 125.085 3.856 . . . . 0.0 115.247 -173.532 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 69.38 58.81 6.21 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.026 -1.229 . . . . 0.0 110.026 -176.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -70.54 -8.88 24.63 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 123.853 3.036 . . . . 0.0 112.246 -174.307 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -133.45 159.29 40.78 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.128 0.49 . . . . 0.0 112.048 -179.19 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -140.25 157.13 46.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.53 1.132 . . . . 0.0 108.207 173.49 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 447' ' ' CYS . . . . . 0.47 ' HG ' ' CB ' ' A' ' 452' ' ' CYS . 21.5 t -136.73 133.39 36.02 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -178.728 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -125.82 87.56 2.71 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.684 0.794 . . . . 0.0 109.799 -174.905 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -136.14 -179.42 5.66 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.201 178.859 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -70.87 -2.72 15.9 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 122.235 -0.291 . . . . 0.0 111.338 176.239 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 17.1 m -134.45 -2.45 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 123.994 0.918 . . . . 0.0 111.465 176.072 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 452' ' ' CYS . . . . . 0.47 ' CB ' ' HG ' ' A' ' 447' ' ' CYS . 89.3 m -121.6 135.02 55.01 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 118.264 0.484 . . . . 0.0 110.838 177.574 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 453' ' ' PHE . . . . . 0.432 ' CZ ' ' HE3' ' A' ' 454' ' ' LYS . 39.9 p90 -158.26 25.42 0.25 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.498 0.319 . . . . 0.0 111.069 179.281 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 454' ' ' LYS . . . . . 0.432 ' HE3' ' CZ ' ' A' ' 453' ' ' PHE . 98.0 mttt -133.37 167.61 20.11 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 122.8 0.44 . . . . 0.0 112.081 -172.144 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -85.91 150.58 24.41 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.623 172.629 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -147.67 172.07 14.64 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.205 0.602 . . . . 0.0 110.713 -177.474 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 457' ' ' CYS . . . . . 0.451 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 20.8 p -128.0 173.49 10.0 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.96 1.304 . . . . 0.0 107.698 173.451 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 53.4 ptt85 -60.01 -27.04 66.55 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.5 -0.75 . . . . 0.0 112.347 -171.692 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 19.4 t -74.95 -52.57 10.84 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 117.852 0.297 . . . . 0.0 111.006 -175.587 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 460' ' ' CYS . . . . . 0.525 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 14.1 p -82.0 -17.28 47.43 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 122.267 0.227 . . . . 0.0 111.236 -178.734 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -62.69 -42.04 99.43 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 172.332 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -73.11 -24.45 60.63 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.996 178.32 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.0 m0 -72.44 -14.72 61.76 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.616 0.643 . . . . 0.0 111.478 175.594 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -123.77 -4.97 8.09 Favored 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -176.253 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -133.08 6.9 3.94 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -176.504 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 56.0 m -101.1 7.19 43.4 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-N 118.15 0.432 . . . . 0.0 111.147 175.304 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.5 ptp -103.39 158.14 16.55 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.084 0.553 . . . . 0.0 110.16 177.513 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -64.86 -11.33 36.26 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -174.01 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -87.71 -16.34 60.11 Favored Glycine 0 CA--C 1.528 0.858 0 CA-C-O 118.898 -0.946 . . . . 0.0 113.311 -178.043 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 4.3 mp -142.16 15.55 2.06 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.681 1.241 . . . . 0.0 112.646 -177.447 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 16.02 0.09 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -177.328 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -124.11 4.43 8.58 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.87 0.868 . . . . 0.0 112.077 -174.447 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -82.28 166.21 19.73 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 121.259 0.552 . . . . 0.0 111.311 179.782 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 77.7 p -140.2 152.27 66.74 Favored Pre-proline 0 C--O 1.233 0.222 0 C-N-CA 124.158 0.983 . . . . 0.0 109.25 177.564 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -64.71 148.17 90.11 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 123.392 2.728 . . . . 0.0 111.132 -176.469 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 52.7 tp . . . . . 0 CA--C 1.53 0.18 0 C-N-CA 123.958 0.903 . . . . 0.0 109.166 -177.959 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 18.3 tt . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -80.9 151.35 70.54 Favored Pre-proline 0 N--CA 1.452 -0.346 0 C-N-CA 123.009 0.523 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -72.74 167.93 25.88 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 123.987 3.124 . . . . 0.0 111.562 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -133.78 162.09 32.93 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.563 0.745 . . . . 0.0 110.303 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 39.0 tp -68.47 -11.81 60.32 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.228 0.211 . . . . 0.0 110.929 -178.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -87.07 -0.13 56.16 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.806 0.442 . . . . 0.0 111.416 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -137.62 -11.91 1.56 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.698 0.399 . . . . 0.0 111.596 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 87.7 p -111.34 11.43 21.6 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.156 0.582 . . . . 0.0 111.716 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 13.4 tp -67.86 171.28 6.81 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.636 1.175 . . . . 0.0 108.854 174.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 73.4 m -56.39 137.53 52.63 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 171.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -93.57 2.01 56.52 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 15.6 mm -120.61 -35.63 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-O 119.528 -0.272 . . . . 0.0 111.088 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 31.0 p -115.26 -24.47 8.45 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 12.9 p 39.89 33.8 0.15 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.813 1.245 . . . . 0.0 113.216 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 69.9 m -115.92 -3.47 12.15 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.931 0.492 . . . . 0.0 111.769 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -134.76 158.02 75.92 Favored Pre-proline 0 N--CA 1.453 -0.291 0 C-N-CA 123.412 0.685 . . . . 0.0 109.49 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -61.83 -2.17 2.64 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 124.71 3.607 . . . . 0.0 114.52 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 66.51 60.07 6.6 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 109.962 -1.255 . . . . 0.0 109.962 -174.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -72.76 -8.46 22.44 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 124.136 3.224 . . . . 0.0 112.299 -173.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -129.55 163.37 26.12 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.785 0.434 . . . . 0.0 111.059 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -141.26 147.4 38.19 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.23 0.612 . . . . 0.0 109.564 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 17.4 t -111.33 128.43 55.95 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -90.17 -11.88 39.83 Favored 'General case' 0 CA--C 1.527 0.066 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -170.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.7 154.27 40.78 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.95 -0.468 . . . . 0.0 111.023 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -72.71 -9.38 58.57 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.923 0.489 . . . . 0.0 112.142 -173.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 23.3 m -99.0 -4.28 9.46 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 C-N-CA 122.337 0.255 . . . . 0.0 111.222 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 62.9 m -118.13 -67.07 1.02 Allowed 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 20.4 t80 45.57 31.32 0.91 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.633 1.573 . . . . 0.0 114.637 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -141.71 169.82 16.88 Favored 'General case' 0 C--O 1.231 0.12 0 O-C-N 121.909 -0.494 . . . . 0.0 111.443 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -83.09 147.97 27.79 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -149.12 168.66 22.59 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.369 0.604 . . . . 0.0 110.879 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 28.7 p -122.18 -178.26 3.82 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 172.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -59.35 -28.94 67.3 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.528 0.604 . . . . 0.0 111.089 -176.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 71.3 m -76.17 -56.54 4.55 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 122.756 0.423 . . . . 0.0 111.556 -177.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 7.7 p -79.15 -13.94 59.41 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 -175.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -69.31 -43.0 74.67 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 169.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -70.33 -17.22 63.06 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.93 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 54.7 m0 -83.74 -23.87 31.41 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.566 0.621 . . . . 0.0 112.117 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -97.41 -5.19 36.81 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.607 0.639 . . . . 0.0 111.709 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -130.83 21.71 4.99 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 117.756 0.253 . . . . 0.0 111.002 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 37.0 t -65.7 -33.88 76.9 Favored 'General case' 0 C--N 1.338 0.084 0 C-N-CA 123.082 0.553 . . . . 0.0 111.171 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 18.3 ptt? -88.45 159.33 18.03 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.944 0.498 . . . . 0.0 110.988 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -72.13 -14.5 61.85 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.1 0.56 . . . . 0.0 111.465 -175.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -72.96 -18.24 78.97 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 118.968 -0.907 . . . . 0.0 114.034 -174.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 64.7 mt -122.87 19.42 10.14 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-N 118.571 1.185 . . . . 0.0 112.431 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 29.3 mmt85 -72.4 -2.4 19.21 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 122.075 -0.39 . . . . 0.0 111.81 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -87.87 -4.01 58.89 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.964 0.506 . . . . 0.0 111.52 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -75.77 157.73 33.12 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 70.0 m -137.45 137.42 22.18 Favored Pre-proline 0 N--CA 1.455 -0.183 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -75.39 140.59 24.59 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 123.025 2.484 . . . . 0.0 111.03 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 10.6 mp -95.33 149.92 20.82 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 173.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 91.2 mtp -86.39 160.76 18.96 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.818 -0.174 . . . . 0.0 111.149 -177.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -130.62 -10.88 3.98 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.056 0.542 . . . . 0.0 111.164 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -149.98 153.96 37.45 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -144.14 162.52 36.1 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.299 0.64 . . . . 0.0 110.467 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -75.46 151.36 38.07 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 122.724 0.41 . . . . 0.0 110.241 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -69.72 156.01 39.64 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 122.735 0.414 . . . . 0.0 110.196 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -82.13 6.59 15.96 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.221 0.608 . . . . 0.0 111.837 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -142.07 155.29 45.38 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.864 0.866 . . . . 0.0 109.894 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 25.2 m -138.18 10.65 2.79 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.824 0.85 . . . . 0.0 111.018 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 46.0 m . . . . . 0 C--O 1.254 1.299 0 CA-C-O 117.685 -1.15 . . . . 0.0 110.927 -178.934 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 34.9 pt . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 120.867 0.365 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -139.16 155.45 72.56 Favored Pre-proline 0 CA--C 1.532 0.261 0 C-N-CA 123.697 0.799 . . . . 0.0 109.523 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -66.22 -5.42 12.43 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 123.497 2.798 . . . . 0.0 112.476 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -88.65 -9.02 53.58 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 122.568 0.347 . . . . 0.0 111.035 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 0.428 ' HG ' ' H ' ' A' ' 432' ' ' ASP . 43.4 tp -84.8 150.52 24.99 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.104 0.561 . . . . 0.0 110.18 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -68.82 -14.18 62.87 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -177.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 432' ' ' ASP . . . . . 0.428 ' H ' ' HG ' ' A' ' 430' ' ' LEU . 38.7 t70 -88.49 -11.28 46.29 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.629 0.372 . . . . 0.0 110.971 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 51.2 m -113.2 -1.63 14.29 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.198 0.599 . . . . 0.0 110.476 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 9.6 tp -68.45 163.13 24.0 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 175.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 37.0 t -56.77 128.4 36.37 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 175.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -82.89 -0.39 48.08 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -174.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 37.1 mm -121.81 -25.02 2.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 118.014 0.37 . . . . 0.0 110.581 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 12.2 m -119.26 -29.38 5.2 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 122.349 0.26 . . . . 0.0 111.286 -174.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 15.0 p 39.65 35.43 0.2 Allowed 'General case' 0 C--N 1.34 0.184 0 C-N-CA 124.692 1.197 . . . . 0.0 113.077 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 72.3 m -123.02 -2.88 8.62 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.339 0.656 . . . . 0.0 111.192 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -134.0 158.04 76.29 Favored Pre-proline 0 N--CA 1.455 -0.178 0 C-N-CA 123.906 0.882 . . . . 0.0 109.321 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -63.82 5.39 0.37 Allowed 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 125.004 3.803 . . . . 0.0 114.504 -176.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 68.51 63.02 3.74 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 -175.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.58 -9.61 26.58 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 123.921 3.081 . . . . 0.0 111.986 -174.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -132.64 157.41 44.88 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 110.964 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -139.23 154.08 47.94 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.131 0.972 . . . . 0.0 108.545 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 447' ' ' CYS . . . . . 0.452 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 29.9 t -131.75 133.18 44.51 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -126.57 82.99 2.12 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.594 0.758 . . . . 0.0 109.923 -173.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -132.73 -179.71 5.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.034 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -73.29 -1.72 19.08 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.305 -0.247 . . . . 0.0 111.318 176.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 33.7 m -134.81 -2.96 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 C-N-CA 123.052 0.541 . . . . 0.0 111.755 174.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 452' ' ' CYS . . . . . 0.452 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 84.1 m -120.95 133.64 55.28 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.189 0.449 . . . . 0.0 110.279 176.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -157.14 27.82 0.3 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.275 0.23 . . . . 0.0 111.225 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -133.79 167.3 20.8 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 122.917 0.487 . . . . 0.0 111.703 -174.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -88.24 150.76 23.09 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.859 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -147.31 170.64 16.89 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.286 0.634 . . . . 0.0 110.578 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 26.4 p -116.02 176.54 5.05 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.805 1.242 . . . . 0.0 108.117 174.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -60.06 -35.37 74.98 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 121.556 -0.715 . . . . 0.0 111.574 -174.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 75.6 m -67.67 -48.61 66.14 Favored 'General case' 0 N--CA 1.458 -0.061 0 C-N-CA 122.251 0.22 . . . . 0.0 111.292 -175.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 24.6 p -88.48 -14.7 37.21 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 111.392 0.145 . . . . 0.0 111.392 -175.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 43.0 t-105 -62.01 -40.42 95.63 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 170.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -75.7 -27.99 58.45 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.769 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 44.9 m0 -70.25 -13.34 62.13 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 118.724 0.693 . . . . 0.0 111.33 176.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -115.99 -13.49 11.26 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 123.116 0.566 . . . . 0.0 112.007 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -134.76 1.37 3.05 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -173.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 26.8 t -80.63 -16.51 53.89 Favored 'General case' 0 CA--C 1.527 0.072 0 CA-C-N 119.224 0.92 . . . . 0.0 109.996 175.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.2 ptp -69.54 156.46 38.86 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.043 0.537 . . . . 0.0 110.217 177.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.38 -4.99 39.76 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -90.13 -29.47 14.88 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-O 118.772 -1.016 . . . . 0.0 113.445 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 66.9 mt -128.45 11.17 6.29 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 118.538 1.169 . . . . 0.0 113.074 -172.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -71.97 7.11 1.73 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -94.06 -2.45 52.88 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.544 0.738 . . . . 0.0 111.532 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 55.3 m170 -75.34 161.2 29.49 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.673 0.389 . . . . 0.0 110.544 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 55.4 m -129.67 146.67 62.16 Favored Pre-proline 0 N--CA 1.456 -0.166 0 C-N-CA 123.169 0.588 . . . . 0.0 109.637 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.7 151.1 69.31 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 123.603 2.869 . . . . 0.0 111.49 -176.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 90.9 mt -138.38 156.21 47.81 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.649 1.18 . . . . 0.0 109.007 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 89.0 mtp -137.47 5.21 2.68 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.679 0.392 . . . . 0.0 111.815 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 61.4 ttp85 55.72 12.78 0.89 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.14 0.976 . . . . 0.0 112.696 -177.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -144.03 162.6 35.81 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.634 0.774 . . . . 0.0 109.734 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -147.58 164.53 33.17 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 122.994 0.517 . . . . 0.0 110.551 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -139.43 166.14 25.37 Favored 'General case' 0 C--O 1.231 0.094 0 C-N-CA 123.488 0.715 . . . . 0.0 110.429 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 54.7 p30 -144.92 -173.61 4.12 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.493 0.717 . . . . 0.0 110.116 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 45.2 tpt85 -68.34 -6.89 26.7 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.014 0.526 . . . . 0.0 111.878 -178.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -105.86 7.06 32.08 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.075 0.55 . . . . 0.0 111.998 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 89.7 p -141.38 167.15 22.86 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.752 0.421 . . . . 0.0 111.231 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.576 -1.202 . . . . 0.0 110.39 -178.533 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 41.1 pt . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 110.704 -0.11 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -71.95 162.88 71.05 Favored Pre-proline 0 CA--C 1.535 0.37 0 C-N-CA 122.775 0.43 . . . . 0.0 110.395 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -58.36 -11.34 10.63 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 123.897 3.065 . . . . 0.0 113.592 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -144.83 130.0 18.58 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.376 0.67 . . . . 0.0 109.623 178.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 56.4 tp -161.28 142.12 11.24 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.251 0.62 . . . . 0.0 109.688 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -144.95 157.71 44.05 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 123.299 0.64 . . . . 0.0 110.08 175.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -79.65 154.89 28.34 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 122.603 0.361 . . . . 0.0 110.534 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 48.1 m -92.94 -9.61 39.39 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -176.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 439' ' ' SER . 2.6 mm? -97.57 177.25 5.57 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 14.3 t -58.08 136.22 57.14 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 169.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -81.31 4.11 21.76 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -174.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 33.6 mm -123.61 -26.62 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 C-N-CA 122.922 0.489 . . . . 0.0 110.274 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 24.5 m -111.51 -27.09 8.74 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 439' ' ' SER . . . . . 0.45 ' HA ' ' HB3' ' A' ' 434' ' ' LEU . 20.8 p 39.95 41.89 0.97 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.556 1.142 . . . . 0.0 113.578 179.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 66.2 m -131.75 -9.9 3.53 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.134 0.574 . . . . 0.0 112.008 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -153.87 155.23 31.08 Favored Pre-proline 0 N--CA 1.455 -0.218 0 C-N-CA 123.329 0.652 . . . . 0.0 109.509 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -68.71 105.21 1.27 Allowed 'Trans proline' 0 N--CA 1.448 -1.172 0 C-N-CA 122.567 2.178 . . . . 0.0 108.633 173.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -48.97 116.96 3.72 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -178.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -79.13 -8.12 15.29 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 123.919 3.08 . . . . 0.0 111.577 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -130.53 160.27 34.62 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 121.217 0.532 . . . . 0.0 111.947 -176.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -138.36 149.28 45.43 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.593 1.157 . . . . 0.0 108.025 175.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 447' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 21.7 t -120.86 127.77 52.21 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -123.91 88.58 2.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.779 0.832 . . . . 0.0 109.684 -174.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -136.71 -172.9 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.952 0.501 . . . . 0.0 110.876 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -72.38 -10.79 60.24 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.014 -0.429 . . . . 0.0 110.397 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 33.0 m -128.12 -11.64 3.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 122.997 0.519 . . . . 0.0 112.334 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 452' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 81.6 m -110.91 134.04 52.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 118.186 0.448 . . . . 0.0 110.317 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -150.98 18.22 0.77 Allowed 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.58 169.56 16.81 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 118.949 0.795 . . . . 0.0 112.004 -170.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -85.61 149.04 25.62 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.037 0.535 . . . . 0.0 109.985 174.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -147.45 177.49 9.2 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.337 0.655 . . . . 0.0 110.944 -175.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 24.4 p -130.17 175.44 8.91 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.088 1.355 . . . . 0.0 108.2 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -59.67 -33.42 71.54 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 121.816 -0.553 . . . . 0.0 111.586 -173.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 72.9 m -67.8 -50.49 56.58 Favored 'General case' 0 C--O 1.233 0.202 0 O-C-N 122.293 -0.254 . . . . 0.0 111.181 -176.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 19.0 p -86.38 -16.75 36.35 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -175.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -63.02 -39.57 95.14 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 172.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -77.42 -24.7 50.36 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 117.926 0.33 . . . . 0.0 110.97 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 49.4 m0 -69.99 -15.37 63.02 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.865 0.757 . . . . 0.0 111.534 176.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -113.26 -28.36 7.64 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 176.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -110.37 6.28 22.19 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -172.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 40.7 t -79.04 -15.86 57.64 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.677 0.671 . . . . 0.0 110.351 174.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.5 ptp -74.45 150.85 39.74 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 176.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.29 -7.39 52.62 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -175.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -84.69 -19.22 60.26 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.08 -0.845 . . . . 0.0 113.663 -177.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 77.7 mt -125.85 21.54 7.58 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.57 1.185 . . . . 0.0 112.405 -174.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -68.6 -3.56 12.25 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.286 0.493 . . . . 0.0 112.143 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -89.79 -4.15 57.78 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.218 0.607 . . . . 0.0 112.074 -178.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -77.18 152.22 34.9 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.219 0.463 . . . . 0.0 110.422 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 54.6 m -140.6 148.45 53.24 Favored Pre-proline 0 N--CA 1.455 -0.203 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.65 154.71 24.4 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.254 2.636 . . . . 0.0 112.921 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 43.1 tp -137.49 154.99 49.78 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.036 0.934 . . . . 0.0 108.803 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 27.8 ttt -140.91 160.14 40.7 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.953 0.501 . . . . 0.0 110.042 -177.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 21.5 tpp85 -61.09 -17.55 53.2 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.819 0.848 . . . . 0.0 111.851 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -89.08 7.37 35.31 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.114 0.566 . . . . 0.0 111.606 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -133.86 162.7 31.29 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 123.577 0.751 . . . . 0.0 110.937 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -130.75 6.74 4.73 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 123.268 0.627 . . . . 0.0 111.631 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -144.57 158.94 43.54 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.271 0.629 . . . . 0.0 109.354 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -115.21 157.25 23.96 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.308 0.643 . . . . 0.0 110.593 -175.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -92.5 164.19 13.55 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.108 0.563 . . . . 0.0 109.482 174.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 69.5 m -146.01 165.49 28.86 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 122.852 0.461 . . . . 0.0 110.987 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 79.4 p . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.186 179.892 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 37.4 pt . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 120.622 0.248 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -139.19 162.23 53.19 Favored Pre-proline 0 CA--C 1.531 0.232 0 C-N-CA 123.148 0.579 . . . . 0.0 109.976 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -55.05 154.24 22.96 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.512 2.808 . . . . 0.0 112.346 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 55.04 20.01 3.03 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.961 0.904 . . . . 0.0 113.312 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 50.8 tp -146.09 158.23 43.87 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.326 0.651 . . . . 0.0 109.376 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -144.8 158.03 43.94 Favored 'General case' 0 C--O 1.23 0.057 0 C-N-CA 123.085 0.554 . . . . 0.0 110.718 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -157.97 160.57 37.67 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 122.574 0.35 . . . . 0.0 110.219 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 37.6 m -78.43 -8.43 58.48 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 122.886 0.474 . . . . 0.0 111.992 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.7 tp -52.43 153.94 2.74 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.828 0.851 . . . . 0.0 110.869 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 34.0 t -57.75 130.51 46.74 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 173.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -83.31 5.07 24.5 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -174.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 33.0 mm -124.81 -25.74 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 123.11 0.564 . . . . 0.0 110.44 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 24.3 m -118.83 -27.48 5.8 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.657 0.383 . . . . 0.0 111.922 -172.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 16.3 p 40.5 36.54 0.37 Allowed 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.023 1.329 . . . . 0.0 114.466 176.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 74.2 m -121.81 -0.75 9.54 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 123.117 0.567 . . . . 0.0 111.735 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -146.82 154.58 47.65 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 124.491 1.117 . . . . 0.0 109.224 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -69.85 18.93 0.19 Allowed 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 124.723 3.616 . . . . 0.0 113.525 -177.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 68.04 84.35 0.12 Allowed Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -71.32 -11.06 28.15 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 123.345 2.697 . . . . 0.0 111.149 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -139.69 160.44 39.87 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.322 0.582 . . . . 0.0 111.629 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -140.99 156.78 45.98 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.379 1.071 . . . . 0.0 108.224 173.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 447' ' ' CYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 15.4 t -135.61 137.85 42.34 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -128.34 10.46 6.26 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -169.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.07 -179.91 2.09 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.163 0.506 . . . . 0.0 111.993 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -61.2 -13.88 21.4 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -172.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 29.9 m -124.95 0.48 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 118.59 0.632 . . . . 0.0 111.794 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 452' ' ' CYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 80.9 m -117.7 134.29 55.06 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.778 0.431 . . . . 0.0 110.776 -178.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -150.79 20.71 0.8 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 122.974 0.509 . . . . 0.0 111.239 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -132.74 165.51 24.37 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 122.764 0.426 . . . . 0.0 111.79 -170.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -84.14 148.29 26.86 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -145.24 174.71 10.85 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.226 0.536 . . . . 0.0 110.768 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 26.5 p -129.42 177.07 7.46 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.984 1.314 . . . . 0.0 108.496 175.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -59.58 -30.8 68.91 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.916 -0.49 . . . . 0.0 111.5 -176.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 75.7 m -69.74 -58.76 3.51 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.385 0.274 . . . . 0.0 111.35 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 12.3 p -77.19 -21.59 53.72 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -174.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 23.8 t-105 -60.01 -48.19 82.74 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 172.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -77.6 -6.49 53.91 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.9 m0 -81.37 -19.31 42.95 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 118.706 -0.664 . . . . 0.0 112.086 175.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 26.0 ttp180 -128.91 -17.55 3.94 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 175.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -91.27 9.04 33.01 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.012 0.823 . . . . 0.0 111.227 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 65.6 p -85.98 -16.87 36.97 Favored 'General case' 0 C--N 1.338 0.098 0 C-N-CA 122.99 0.516 . . . . 0.0 111.802 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.6 ptp -94.26 159.52 15.09 Favored 'General case' 0 C--O 1.23 0.06 0 C-N-CA 122.892 0.477 . . . . 0.0 110.669 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -73.22 -5.88 42.23 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -174.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -79.81 -13.88 81.69 Favored Glycine 0 CA--C 1.526 0.761 0 CA-C-O 119.745 -0.475 . . . . 0.0 111.951 177.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.4 mp -137.0 11.8 3.09 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.434 0.694 . . . . 0.0 112.433 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -69.92 -4.8 22.15 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 121.51 -0.744 . . . . 0.0 112.802 -176.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -100.69 2.33 41.37 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.913 0.885 . . . . 0.0 112.065 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -75.95 161.71 28.7 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 122.617 0.367 . . . . 0.0 111.275 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 71.0 m -134.06 143.54 47.7 Favored Pre-proline 0 CA--C 1.528 0.111 0 C-N-CA 123.677 0.791 . . . . 0.0 109.186 176.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -75.13 145.57 31.16 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.216 2.611 . . . . 0.0 112.024 -176.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -118.76 165.41 14.04 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.491 1.116 . . . . 0.0 108.391 173.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -146.76 161.87 39.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.804 0.441 . . . . 0.0 110.736 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 71.3 ttt-85 -149.28 156.04 41.49 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 123.563 0.745 . . . . 0.0 109.26 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -65.33 152.8 42.91 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -119.86 2.26 11.04 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.994 0.518 . . . . 0.0 111.429 -177.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -86.64 -5.97 58.99 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 122.714 0.406 . . . . 0.0 111.413 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -151.37 152.84 33.67 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.817 0.447 . . . . 0.0 109.919 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -145.7 11.08 1.24 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.382 0.673 . . . . 0.0 111.609 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -144.35 161.18 39.62 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.787 0.435 . . . . 0.0 110.901 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 46.7 m -71.06 158.49 36.39 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 122.947 0.499 . . . . 0.0 111.212 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 32.0 t . . . . . 0 C--O 1.251 1.172 0 CA-C-O 117.457 -1.258 . . . . 0.0 110.283 -179.731 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 8.0 tp . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 110.663 -0.125 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -76.43 151.23 83.05 Favored Pre-proline 0 CA--C 1.531 0.234 0 C-N-CA 122.925 0.49 . . . . 0.0 110.46 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -73.02 162.94 39.68 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.833 3.022 . . . . 0.0 111.06 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -146.08 153.13 40.37 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.26 0.624 . . . . 0.0 110.115 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 97.3 mt -140.1 160.23 40.41 Favored 'General case' 0 N--CA 1.458 -0.068 0 C-N-CA 123.669 0.788 . . . . 0.0 110.022 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -146.89 173.67 12.2 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.305 0.642 . . . . 0.0 110.495 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -134.35 156.63 48.15 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 123.463 0.705 . . . . 0.0 110.211 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 80.2 p -144.42 23.28 1.64 Allowed 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.008 0.523 . . . . 0.0 112.049 -176.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 9.6 tp -62.3 149.29 42.5 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 121.947 -0.47 . . . . 0.0 110.308 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 36.5 m -56.88 151.52 14.39 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.981 0.419 . . . . 0.0 110.738 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -86.03 -19.67 29.96 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -175.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 38.6 mm -118.8 -41.88 2.4 Favored 'Isoleucine or valine' 0 C--N 1.342 0.27 0 CA-C-N 118.373 0.533 . . . . 0.0 111.51 -177.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.5 p -95.97 -29.37 14.19 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 5.5 p 40.49 26.95 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.321 1.448 . . . . 0.0 113.845 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 64.4 m -89.0 -11.07 45.31 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.648 0.379 . . . . 0.0 111.61 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -155.51 159.91 31.28 Favored Pre-proline 0 N--CA 1.454 -0.273 0 C-N-CA 122.665 0.386 . . . . 0.0 110.284 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -69.37 105.19 1.38 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 122.442 2.095 . . . . 0.0 107.156 169.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -55.16 125.39 35.8 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 -174.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -75.97 -8.59 19.04 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.906 3.071 . . . . 0.0 111.694 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -122.77 159.16 28.62 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 121.197 0.522 . . . . 0.0 111.733 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -145.12 159.78 42.45 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.386 1.074 . . . . 0.0 108.179 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 16.0 t -130.96 146.2 52.28 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.748 0.419 . . . . 0.0 109.876 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -97.22 -2.21 43.28 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -172.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -80.92 158.87 25.12 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.321 0.509 . . . . 0.0 111.277 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -76.13 -6.78 52.79 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -174.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 34.6 m -102.1 -11.3 8.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 122.601 0.36 . . . . 0.0 111.506 -176.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 11.8 p -148.89 43.04 0.97 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.043 0.537 . . . . 0.0 110.484 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -73.84 43.02 0.15 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.909 0.883 . . . . 0.0 112.002 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -134.95 176.66 8.46 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 124.513 1.125 . . . . 0.0 110.061 -177.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -86.71 153.14 21.95 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 120.861 0.362 . . . . 0.0 110.74 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -149.13 167.71 25.19 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.299 0.64 . . . . 0.0 110.993 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 29.2 p -123.69 179.92 4.61 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.389 1.475 . . . . 0.0 107.738 173.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -58.81 -27.03 64.67 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.56 -0.712 . . . . 0.0 111.386 -176.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 70.9 m -75.63 -61.65 1.85 Allowed 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.396 0.278 . . . . 0.0 110.67 -177.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 7.1 p -74.56 -22.72 58.85 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 -174.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -64.54 -47.04 80.28 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 173.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -76.82 -4.9 45.99 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 117.887 0.312 . . . . 0.0 111.739 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 54.2 m0 -88.43 -15.23 35.99 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.347 0.522 . . . . 0.0 111.943 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -122.23 -24.77 5.0 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 176.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -94.54 14.26 21.42 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.519 0.6 . . . . 0.0 112.191 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 65.2 p -92.69 -13.44 29.4 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 123.423 0.689 . . . . 0.0 112.057 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.5 ptp -96.44 153.67 17.7 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 122.909 0.484 . . . . 0.0 110.88 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -60.2 -16.48 33.56 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -173.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -81.85 -5.68 89.6 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-O 119.217 -0.768 . . . . 0.0 112.704 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.3 mp -139.55 2.61 2.04 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.493 1.147 . . . . 0.0 113.655 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -73.89 0.13 14.29 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 119.36 0.982 . . . . 0.0 112.286 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 57.3 p-80 -100.76 4.86 43.36 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.316 0.646 . . . . 0.0 111.846 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -82.19 169.28 16.78 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.001 0.52 . . . . 0.0 111.292 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 62.6 m -135.85 144.83 50.29 Favored Pre-proline 0 C--O 1.232 0.164 0 C-N-CA 123.912 0.885 . . . . 0.0 108.985 176.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -72.45 161.19 44.93 Favored 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 123.529 2.819 . . . . 0.0 111.459 -177.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 15.4 tp -142.95 155.45 44.7 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.131 0.972 . . . . 0.0 108.542 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -144.32 166.02 26.25 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.892 0.377 . . . . 0.0 111.293 -177.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 57.6 mmm-85 -103.97 15.1 29.34 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.296 1.038 . . . . 0.0 111.711 -176.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -136.82 163.86 29.64 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.188 0.595 . . . . 0.0 110.278 -178.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -87.08 166.59 14.9 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.951 0.5 . . . . 0.0 110.977 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -73.4 162.05 29.74 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 122.71 0.404 . . . . 0.0 110.393 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -72.34 159.17 34.46 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 122.527 0.331 . . . . 0.0 110.409 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -136.98 161.56 35.71 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 123.246 0.618 . . . . 0.0 110.679 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -138.87 165.06 28.04 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 123.313 0.645 . . . . 0.0 110.419 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 37.5 m -84.7 2.42 41.95 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 122.964 0.506 . . . . 0.0 111.715 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 35.1 t . . . . . 0 C--O 1.252 1.189 0 CA-C-O 117.431 -1.271 . . . . 0.0 110.169 179.772 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 18.9 tt . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 110.526 -0.176 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -141.49 161.58 51.69 Favored Pre-proline 0 CA--C 1.531 0.244 0 C-N-CA 123.534 0.734 . . . . 0.0 110.021 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -58.81 162.99 11.94 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.937 3.092 . . . . 0.0 112.959 178.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -130.17 12.42 5.58 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.509 0.723 . . . . 0.0 110.929 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.34 -178.77 6.41 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.658 0.783 . . . . 0.0 110.804 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -128.57 11.06 6.21 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.239 0.616 . . . . 0.0 112.129 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -141.53 160.54 39.93 Favored 'General case' 0 C--N 1.339 0.114 0 C-N-CA 122.933 0.493 . . . . 0.0 110.216 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.5 m 55.36 23.18 5.47 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 123.681 0.792 . . . . 0.0 112.465 -174.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 16.5 tp -67.9 155.28 39.75 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.33 1.052 . . . . 0.0 110.369 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 48.3 t -58.58 144.71 41.94 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -93.47 -16.63 24.31 Favored 'General case' 0 N--CA 1.458 -0.07 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -171.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 35.5 mm -109.8 -19.22 7.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 CA-C-N 118.552 0.615 . . . . 0.0 111.37 -176.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 27.9 p -134.46 -25.52 1.5 Allowed 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 5.5 p 45.87 21.56 0.1 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.863 1.265 . . . . 0.0 113.316 -176.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 66.0 m -91.63 -6.49 52.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.252 0.621 . . . . 0.0 110.916 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -135.23 156.52 78.03 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 124.324 1.049 . . . . 0.0 109.217 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -79.58 19.99 0.91 Allowed 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 125.218 3.945 . . . . 0.0 113.178 -169.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 61.97 63.26 4.91 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 177.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -67.22 -10.17 27.68 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 123.937 3.091 . . . . 0.0 112.116 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -133.75 163.34 29.68 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.949 0.404 . . . . 0.0 111.369 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -146.2 151.95 38.44 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.249 1.019 . . . . 0.0 108.48 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 9.6 t -125.61 135.74 52.51 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -111.77 75.43 0.92 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.37 0.668 . . . . 0.0 111.242 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -132.74 -176.27 4.05 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.563 0.345 . . . . 0.0 111.29 176.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -93.05 -2.82 55.25 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.165 0.586 . . . . 0.0 111.325 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 17.8 m -115.71 -22.55 4.55 Favored 'Isoleucine or valine' 0 C--N 1.34 0.165 0 C-N-CA 122.735 0.414 . . . . 0.0 111.089 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 4.3 p -137.22 131.14 32.01 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 172.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -147.93 23.86 1.07 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.896 0.479 . . . . 0.0 111.733 -171.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -132.45 178.36 6.89 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.077 0.551 . . . . 0.0 110.755 -174.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -82.2 148.79 28.25 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.801 0.44 . . . . 0.0 110.754 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -149.9 161.38 42.4 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.529 0.731 . . . . 0.0 110.237 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 24.7 p -100.29 173.65 6.5 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 170.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.68 -24.72 66.94 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 121.706 -0.621 . . . . 0.0 111.701 -177.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 7.6 t -69.97 -46.74 64.58 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 109.618 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 37.4 m -82.97 -24.1 33.1 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.842 -173.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -63.21 -40.74 98.34 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -72.35 -28.87 63.31 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.191 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 53.0 m0 -72.85 -7.61 51.66 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.394 0.543 . . . . 0.0 111.516 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 88.3 mmt-85 -124.96 0.59 7.97 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -139.85 9.33 2.37 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 69.5 m -77.01 -9.94 59.04 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 119.052 0.842 . . . . 0.0 111.076 175.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.8 ptp -81.81 150.61 27.78 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 177.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -72.46 -11.94 60.89 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.362 0.265 . . . . 0.0 111.607 -176.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -82.74 -16.0 71.66 Favored Glycine 0 CA--C 1.527 0.826 0 CA-C-O 118.846 -0.974 . . . . 0.0 113.678 -176.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 68.1 mt -123.22 19.46 9.85 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 118.545 1.173 . . . . 0.0 112.518 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -72.05 0.89 8.34 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.972 -0.455 . . . . 0.0 111.892 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -93.39 -4.91 50.58 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.317 0.647 . . . . 0.0 111.915 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -74.04 159.0 33.28 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.935 0.397 . . . . 0.0 110.844 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 69.0 m -139.41 149.06 59.01 Favored Pre-proline 0 N--CA 1.455 -0.223 0 C-N-CA 123.362 0.665 . . . . 0.0 109.444 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -68.78 156.49 65.28 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 123.572 2.848 . . . . 0.0 111.097 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 24.7 tp -145.91 155.03 42.59 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 73.9 mtm -143.76 156.93 44.67 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-O 120.951 0.405 . . . . 0.0 110.786 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 80.1 mtt85 -144.48 172.54 12.82 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.228 1.011 . . . . 0.0 109.633 178.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -141.86 161.45 37.93 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -137.39 165.21 26.76 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 123.908 0.883 . . . . 0.0 109.786 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -80.74 16.87 1.27 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.571 0.748 . . . . 0.0 111.804 -176.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 52.0 p30 -132.62 11.45 4.42 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.128 0.571 . . . . 0.0 112.093 -178.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -96.39 1.62 51.92 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 122.672 0.389 . . . . 0.0 111.713 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -139.96 12.94 2.45 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.389 0.676 . . . . 0.0 111.446 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 80.7 p -144.02 168.14 20.71 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.36 0.664 . . . . 0.0 110.839 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--O 1.251 1.141 0 CA-C-O 117.261 -1.352 . . . . 0.0 110.288 -179.55 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 19.9 tt . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -141.19 153.57 66.73 Favored Pre-proline 0 C--O 1.233 0.234 0 C-N-CA 123.039 0.536 . . . . 0.0 110.002 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -74.23 -4.31 15.21 Favored 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 123.955 3.103 . . . . 0.0 111.709 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 33.9 t80 55.7 20.0 3.71 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.127 0.971 . . . . 0.0 112.743 -178.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 93.5 mt -139.47 164.56 29.54 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 124.08 0.952 . . . . 0.0 110.058 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -146.53 163.2 36.52 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.67 0.788 . . . . 0.0 110.086 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -76.33 -1.48 26.98 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -176.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 22.3 m -93.59 20.61 7.17 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 123.273 0.629 . . . . 0.0 110.963 177.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 14.4 tp -57.77 147.57 27.68 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.115 0.966 . . . . 0.0 110.03 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 54.1 t -57.29 139.59 52.39 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -87.08 -10.38 53.06 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -171.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 40.9 mm -116.39 -21.7 4.93 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-N 118.25 0.477 . . . . 0.0 111.875 -175.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 31.9 p -133.47 -21.03 2.04 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 118.305 0.502 . . . . 0.0 112.25 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 6.2 p 42.57 28.15 0.11 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.888 1.275 . . . . 0.0 113.689 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 59.0 m -87.99 -8.81 55.11 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 122.99 0.516 . . . . 0.0 111.911 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -157.26 157.2 30.22 Favored Pre-proline 0 N--CA 1.454 -0.244 0 C-N-CA 122.99 0.516 . . . . 0.0 109.842 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -66.01 106.73 1.01 Allowed 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 122.636 2.224 . . . . 0.0 107.684 171.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -51.39 116.11 4.36 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 123.556 0.598 . . . . 0.0 111.749 -175.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -77.09 -8.03 17.48 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 123.763 2.975 . . . . 0.0 111.617 177.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -123.6 157.42 33.76 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.177 0.513 . . . . 0.0 112.196 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -145.27 160.12 41.97 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.798 1.239 . . . . 0.0 108.968 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 8.8 t -134.43 154.51 51.35 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -103.82 -15.31 15.74 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -169.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.33 153.5 33.76 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.901 0.773 . . . . 0.0 110.788 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -71.78 -5.18 32.23 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 32.8 m -94.06 -11.87 8.88 Favored 'Isoleucine or valine' 0 C--N 1.341 0.204 0 CA-C-O 119.538 -0.268 . . . . 0.0 111.346 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 9.2 p -150.66 40.89 0.76 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 122.939 0.496 . . . . 0.0 110.73 178.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -74.84 52.51 0.54 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.772 0.829 . . . . 0.0 111.826 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -141.96 172.88 12.08 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 124.556 1.142 . . . . 0.0 109.929 -177.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -86.33 151.56 23.48 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.722 0.296 . . . . 0.0 110.427 177.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -147.9 167.71 24.13 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.4 0.619 . . . . 0.0 111.062 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 22.1 p -111.95 174.97 5.62 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.752 1.221 . . . . 0.0 108.71 172.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -60.01 -25.67 65.48 Favored 'General case' 0 C--O 1.232 0.179 0 O-C-N 122.0 -0.437 . . . . 0.0 111.66 -175.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 10.8 t -71.66 -52.21 19.08 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.119 0.485 . . . . 0.0 109.855 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 460' ' ' CYS . . . . . 0.429 ' HA ' ' HB3' ' A' ' 463' ' ' TRP . 37.1 m -77.39 -23.12 50.75 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.659 -173.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -69.39 -50.92 41.55 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -75.96 -8.74 57.65 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.745 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 463' ' ' TRP . . . . . 0.429 ' HB3' ' HA ' ' A' ' 460' ' ' CYS . 71.1 t90 -82.15 -21.67 36.47 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.991 0.516 . . . . 0.0 111.319 176.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 51.5 ttt85 -120.34 -17.43 8.21 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -107.65 6.27 27.64 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 23.3 t -95.11 -5.42 44.25 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-N 118.125 0.42 . . . . 0.0 111.415 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 23.8 ptp -80.15 155.99 27.19 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 122.192 -0.317 . . . . 0.0 110.598 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -78.44 71.21 4.89 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.915 0.486 . . . . 0.0 110.366 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -174.92 -25.98 0.03 OUTLIER Glycine 0 CA--C 1.529 0.912 0 CA-C-O 119.241 -0.755 . . . . 0.0 112.873 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 52.6 mt -117.2 23.2 12.0 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.168 0.984 . . . . 0.0 111.438 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -69.86 -3.49 16.03 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 123.533 0.733 . . . . 0.0 111.862 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -93.87 -2.55 53.25 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.418 0.687 . . . . 0.0 112.199 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 52.8 m170 -80.44 156.85 26.42 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 118.208 0.458 . . . . 0.0 110.348 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 64.3 m -140.69 150.8 61.35 Favored Pre-proline 0 N--CA 1.455 -0.178 0 C-N-CA 123.39 0.676 . . . . 0.0 109.186 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.76 148.98 52.56 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.6 2.867 . . . . 0.0 112.896 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 95.7 mt -141.36 165.24 28.05 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.262 1.025 . . . . 0.0 109.255 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 27.4 ttt -140.0 133.02 29.45 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -156.99 157.18 34.24 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 123.251 0.621 . . . . 0.0 109.62 -178.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 66.6 t30 55.5 21.53 4.45 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.645 0.778 . . . . 0.0 112.554 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -141.02 164.19 30.94 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.812 0.845 . . . . 0.0 110.502 -177.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -146.39 -179.11 6.52 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.161 0.984 . . . . 0.0 109.757 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -67.04 147.11 53.61 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -142.07 161.62 37.53 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.576 0.751 . . . . 0.0 110.155 -178.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -146.78 164.15 33.72 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.487 0.715 . . . . 0.0 110.336 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 28.0 t -150.53 160.97 43.41 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.021 0.529 . . . . 0.0 110.298 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 117.34 -1.314 . . . . 0.0 110.119 -179.377 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 64.7 mt . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -149.64 162.71 27.57 Favored Pre-proline 0 C--O 1.233 0.225 0 C-N-CA 123.001 0.52 . . . . 0.0 109.97 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -61.78 -7.68 9.82 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 124.284 3.323 . . . . 0.0 114.342 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 33.8 t80 56.39 17.32 2.85 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.854 0.862 . . . . 0.0 112.523 -177.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 96.5 mt -139.04 159.46 42.09 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.543 1.137 . . . . 0.0 109.858 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -141.46 161.7 37.28 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.179 0.592 . . . . 0.0 109.86 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -77.83 -17.92 56.89 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.464 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 26.0 m -95.09 -7.24 40.03 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.653 0.381 . . . . 0.0 111.682 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.407 HD21 ' HB2' ' A' ' 439' ' ' SER . 30.7 tp -67.68 150.47 48.68 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 53.4 t -55.71 133.34 50.73 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -88.42 -2.29 58.51 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -173.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 31.9 mm -117.83 -20.76 5.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 118.682 0.674 . . . . 0.0 111.296 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.0 p -137.39 -25.43 1.03 Allowed 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 439' ' ' SER . . . . . 0.407 ' HB2' HD21 ' A' ' 434' ' ' LEU . 6.2 p 46.22 26.27 0.43 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.294 1.038 . . . . 0.0 113.262 -178.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 67.2 m -85.97 -11.23 53.58 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -150.88 159.81 33.31 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-O 119.195 -0.431 . . . . 0.0 109.866 176.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -57.56 5.53 0.07 OUTLIER 'Trans proline' 0 CA--C 1.537 0.632 1 C-N-CA 126.11 4.54 . . . . 0.0 116.673 -171.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 65.61 72.97 0.65 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -72.57 -8.5 22.64 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.968 3.112 . . . . 0.0 111.846 -176.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -125.05 157.48 36.15 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.168 0.509 . . . . 0.0 111.515 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -142.28 145.16 33.71 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.611 0.764 . . . . 0.0 109.92 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 17.1 t -121.61 122.69 40.2 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -92.72 -11.85 32.91 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -170.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.3 153.66 37.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.11 -0.369 . . . . 0.0 111.326 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -71.24 -3.16 18.81 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 -173.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 34.1 m -106.24 -5.96 10.1 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 CA-C-N 117.969 0.35 . . . . 0.0 111.102 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 65.5 m -116.84 -65.72 1.16 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 17.9 t80 46.28 27.27 0.55 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.847 1.659 . . . . 0.0 114.454 175.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -142.4 167.01 23.11 Favored 'General case' 0 C--N 1.338 0.108 0 C-N-CA 123.25 0.62 . . . . 0.0 111.212 -177.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -89.09 150.52 22.7 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.264 0.625 . . . . 0.0 110.013 177.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -149.64 165.88 30.97 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.272 0.558 . . . . 0.0 111.106 -177.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 22.6 p -102.95 176.12 5.25 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 170.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 41.9 ptt180 -61.31 -28.18 69.01 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.706 -0.621 . . . . 0.0 111.356 -177.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 7.8 t -69.94 -48.97 56.35 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.409 0.623 . . . . 0.0 109.98 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 56.2 m -80.82 -22.97 39.51 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.905 -172.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -64.32 -40.68 96.4 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 173.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -74.29 -21.57 59.67 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.789 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 52.4 m0 -78.78 -9.0 59.3 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.448 0.567 . . . . 0.0 111.55 176.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -123.39 2.83 9.1 Favored 'General case' 0 C--N 1.338 0.099 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -139.72 14.67 2.51 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 54.6 p -75.74 -26.06 57.1 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 118.49 0.587 . . . . 0.0 111.303 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -73.56 150.68 41.3 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 30.2 mp0 -71.74 -8.66 55.56 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.295 0.238 . . . . 0.0 111.417 -177.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -80.14 -21.72 64.66 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 118.735 -1.036 . . . . 0.0 113.558 -176.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 52.3 mt -121.22 15.58 11.44 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.738 1.269 . . . . 0.0 112.68 -174.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -73.95 2.28 8.98 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.599 0.636 . . . . 0.0 112.077 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -90.22 -4.67 57.07 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.964 0.506 . . . . 0.0 111.651 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -75.03 157.66 34.48 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 122.715 0.406 . . . . 0.0 110.214 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 61.5 m -134.6 135.45 23.62 Favored Pre-proline 0 N--CA 1.456 -0.144 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 176.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -76.43 149.74 31.39 Favored 'Trans proline' 0 N--CA 1.45 -1.064 0 C-N-CA 123.198 2.599 . . . . 0.0 111.716 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 6.8 mp -112.73 149.41 33.0 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 172.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 15.0 tpt -79.42 147.87 32.17 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-O 120.718 0.294 . . . . 0.0 110.871 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -147.28 139.24 24.31 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.121 0.568 . . . . 0.0 109.815 178.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -155.59 166.31 33.91 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -118.33 8.19 12.16 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.498 0.719 . . . . 0.0 111.146 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -137.28 165.47 26.09 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.61 0.764 . . . . 0.0 110.247 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -145.62 164.43 31.73 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 123.253 0.621 . . . . 0.0 110.531 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -80.96 161.1 24.44 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 122.917 0.487 . . . . 0.0 110.382 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -150.05 155.12 39.31 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.225 0.61 . . . . 0.0 109.957 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 67.6 m -142.77 159.9 41.34 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 123.13 0.572 . . . . 0.0 110.785 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--O 1.253 1.242 0 CA-C-O 117.52 -1.228 . . . . 0.0 110.11 -179.212 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 42.5 pt . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 110.544 -0.169 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -147.77 137.29 12.06 Favored Pre-proline 0 CA--C 1.53 0.211 0 C-N-CA 122.788 0.435 . . . . 0.0 109.853 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.8 -5.97 17.49 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 124.152 3.234 . . . . 0.0 113.312 -174.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -105.42 -2.28 23.98 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.306 0.503 . . . . 0.0 111.127 177.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 95.8 mt -124.37 -5.94 7.68 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.143 0.577 . . . . 0.0 111.423 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -149.74 149.2 30.2 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 122.951 0.501 . . . . 0.0 109.949 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -151.14 154.48 37.01 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.974 0.51 . . . . 0.0 110.268 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 36.9 m -144.93 4.23 1.1 Allowed 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 123.05 0.54 . . . . 0.0 111.803 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.482 HD21 ' HB2' ' A' ' 439' ' ' SER . 31.5 tp -69.52 152.46 44.8 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.296 0.638 . . . . 0.0 109.608 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 44.1 t -58.66 137.67 57.43 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -100.2 2.86 43.29 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -171.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 33.6 mm -112.98 -23.25 4.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 118.328 0.513 . . . . 0.0 110.598 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 7.8 p -144.73 -17.39 0.53 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -176.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 439' ' ' SER . . . . . 0.482 ' HB2' HD21 ' A' ' 434' ' ' LEU . 8.3 p 43.78 31.01 0.43 Allowed 'General case' 0 C--N 1.343 0.322 0 C-N-CA 124.428 1.091 . . . . 0.0 113.803 176.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 13.0 t -86.85 -17.61 32.94 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.877 0.37 . . . . 0.0 111.225 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 441' ' ' GLN . . . . . 0.418 ' HB2' ' HD2' ' A' ' 442' ' ' PRO . 9.2 pt20 -149.99 157.09 38.04 Favored Pre-proline 0 N--CA 1.455 -0.208 0 C-N-CA 123.895 0.878 . . . . 0.0 109.195 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 442' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 441' ' ' GLN . 75.7 Cg_endo -67.71 28.93 0.13 Allowed 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 125.291 3.994 . . . . 0.0 114.713 -171.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 59.12 80.82 0.08 OUTLIER Glycine 0 CA--C 1.527 0.809 0 C-N-CA 123.722 0.677 . . . . 0.0 112.29 173.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -71.69 -9.17 24.52 Favored 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 123.562 2.841 . . . . 0.0 111.47 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -134.51 162.35 32.5 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.353 0.596 . . . . 0.0 111.85 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -140.51 156.14 46.43 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.657 1.183 . . . . 0.0 108.02 175.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 447' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 23.3 t -131.61 133.3 44.82 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -178.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -126.67 87.26 2.63 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.541 0.737 . . . . 0.0 109.964 -172.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -137.84 -177.15 4.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.302 177.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -70.68 -9.33 56.88 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 122.074 -0.391 . . . . 0.0 110.996 177.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 18.6 m -129.5 -12.71 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 C-N-CA 122.991 0.516 . . . . 0.0 111.594 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 452' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 87.1 m -111.73 128.9 56.23 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -156.45 28.79 0.34 Allowed 'General case' 0 C--O 1.232 0.133 0 C-N-CA 122.388 0.275 . . . . 0.0 111.269 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -130.67 170.17 14.66 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.155 0.582 . . . . 0.0 110.996 -176.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -85.09 149.86 25.26 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -146.21 170.88 15.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.462 0.649 . . . . 0.0 110.413 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 22.6 p -123.69 174.26 7.59 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.895 1.278 . . . . 0.0 107.797 172.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -61.55 -29.02 69.75 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.525 -0.735 . . . . 0.0 111.752 -172.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 22.7 t -73.32 -50.49 21.83 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.456 0.17 . . . . 0.0 111.149 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 18.3 p -82.59 -14.97 53.89 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 122.21 -0.306 . . . . 0.0 111.246 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 37.9 t-105 -62.02 -39.67 93.05 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 171.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -74.43 -27.69 60.72 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 119.407 -0.33 . . . . 0.0 110.75 177.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.9 m0 -68.18 -16.06 63.83 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.833 0.742 . . . . 0.0 111.7 176.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 18.6 tpp85 -112.81 -20.09 11.75 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 122.915 0.486 . . . . 0.0 111.873 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -126.66 5.62 6.76 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -172.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 36.3 t -74.46 -16.35 60.86 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.048 0.84 . . . . 0.0 109.818 174.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.9 ptp -77.07 152.53 35.02 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.935 0.494 . . . . 0.0 109.96 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -79.9 -10.31 59.76 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -178.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -75.88 -20.7 77.64 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-O 119.374 -0.681 . . . . 0.0 112.772 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 79.2 mt -125.04 23.85 7.67 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 117.799 0.799 . . . . 0.0 110.921 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -68.09 -2.16 7.31 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.19 0.596 . . . . 0.0 112.095 -177.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -95.75 -1.24 50.21 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.902 0.881 . . . . 0.0 112.256 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -77.53 157.65 30.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 118.294 0.497 . . . . 0.0 110.391 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 49.8 m -137.46 148.17 60.66 Favored Pre-proline 0 C--O 1.234 0.24 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -68.82 150.79 74.08 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 123.539 2.826 . . . . 0.0 111.497 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 88.8 mt -137.74 160.15 40.03 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.435 1.094 . . . . 0.0 108.902 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 91.6 mtp -141.02 163.67 32.35 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.93 0.492 . . . . 0.0 110.671 -177.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 93.8 mtm-85 -82.78 -1.0 50.39 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.593 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -148.69 151.48 34.99 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.263 0.625 . . . . 0.0 110.035 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -152.65 166.59 31.64 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 123.089 0.556 . . . . 0.0 110.812 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -74.88 151.31 38.97 Favored 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -141.8 154.79 45.46 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.341 0.657 . . . . 0.0 109.45 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -124.49 7.89 8.33 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -175.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -76.78 153.77 34.64 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.899 -0.5 . . . . 0.0 110.689 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 69.4 m -142.58 163.39 32.95 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 123.153 0.581 . . . . 0.0 110.606 -178.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 56.0 m . . . . . 0 C--O 1.251 1.134 0 CA-C-O 117.249 -1.358 . . . . 0.0 110.427 -179.349 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 36.1 pt . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 110.77 -0.085 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -141.44 153.12 65.4 Favored Pre-proline 0 CA--C 1.531 0.231 0 C-N-CA 123.308 0.643 . . . . 0.0 110.089 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -75.0 -5.1 16.37 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 124.005 3.137 . . . . 0.0 112.018 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -83.92 162.31 20.53 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 122.031 -0.418 . . . . 0.0 111.414 -178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 53.1 tp -147.26 150.1 34.18 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.465 0.706 . . . . 0.0 109.806 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -132.53 -1.9 3.45 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 122.86 0.464 . . . . 0.0 111.498 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -82.7 -10.23 59.01 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 122.655 0.382 . . . . 0.0 111.061 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 78.6 p -92.91 -6.21 49.1 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.23 0.612 . . . . 0.0 111.411 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' A' ' 439' ' ' SER . 40.4 tp -74.03 155.94 38.02 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.817 0.847 . . . . 0.0 108.906 178.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 35.5 t -56.64 138.59 52.21 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -94.96 -2.83 49.69 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -172.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 42.5 mm -114.62 -25.69 3.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 118.886 0.766 . . . . 0.0 111.19 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 6.4 p -142.24 -17.6 0.73 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 439' ' ' SER . . . . . 0.452 ' HB2' HD21 ' A' ' 434' ' ' LEU . 5.6 p 45.21 30.4 0.64 Allowed 'General case' 0 C--N 1.343 0.299 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 176.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 13.0 t -85.43 -19.0 31.98 Favored 'General case' 0 N--CA 1.457 -0.119 0 O-C-N 122.179 -0.326 . . . . 0.0 111.791 -177.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -148.83 163.11 27.14 Favored Pre-proline 0 N--CA 1.45 -0.435 0 C-N-CA 123.394 0.678 . . . . 0.0 109.818 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -56.96 8.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 1 C-N-CA 126.005 4.47 . . . . 0.0 116.695 -172.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 64.19 73.93 0.51 Allowed Glycine 0 CA--C 1.525 0.659 0 CA-C-N 119.447 1.021 . . . . 0.0 110.98 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -73.1 -8.49 22.21 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.835 3.023 . . . . 0.0 112.059 -176.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -125.32 157.75 35.91 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.191 0.519 . . . . 0.0 111.673 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -149.34 158.18 43.95 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.565 1.146 . . . . 0.0 108.203 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 9.0 t -129.24 159.76 35.1 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.223 0.465 . . . . 0.0 110.353 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 48.4 tpt85 -103.65 -17.25 15.21 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -169.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -79.3 154.82 28.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 118.874 0.761 . . . . 0.0 110.838 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -73.47 -5.24 38.79 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 32.6 m -92.74 -14.94 8.23 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 CA-C-N 117.767 0.258 . . . . 0.0 111.117 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 11.3 p -146.76 40.17 1.07 Allowed 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.966 0.506 . . . . 0.0 110.898 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -75.15 47.64 0.37 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.693 0.797 . . . . 0.0 112.083 -177.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -135.72 171.24 14.73 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.016 0.926 . . . . 0.0 110.219 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -85.74 148.57 25.79 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.982 0.42 . . . . 0.0 110.501 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -146.99 174.65 11.33 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.571 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 19.2 p -126.21 178.41 5.82 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.897 1.279 . . . . 0.0 108.376 175.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -55.48 -41.4 72.93 Favored 'General case' 0 C--O 1.231 0.106 0 O-C-N 121.813 -0.554 . . . . 0.0 111.433 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 73.0 m -66.37 -49.22 67.61 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -174.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 10.2 p -88.57 -15.73 34.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -62.59 -38.58 90.69 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 171.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -75.1 -29.67 60.69 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.545 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -70.46 -8.93 54.81 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.562 0.619 . . . . 0.0 111.426 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -123.93 -2.28 8.25 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -139.5 1.24 1.93 Allowed 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 30.3 t -80.12 -15.03 57.99 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.903 0.774 . . . . 0.0 109.908 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.8 ptp -71.87 147.06 47.49 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 176.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -67.13 -11.87 58.45 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -175.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -82.5 -20.86 61.22 Favored Glycine 0 CA--C 1.529 0.918 0 CA-C-O 118.838 -0.979 . . . . 0.0 113.877 -176.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 78.7 mt -127.15 22.01 6.68 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.676 1.238 . . . . 0.0 112.751 -173.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -71.49 -0.02 9.48 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.746 -0.596 . . . . 0.0 112.08 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 54.2 p-80 -90.19 -2.12 58.02 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.981 0.513 . . . . 0.0 111.687 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -79.65 160.3 26.4 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.932 0.493 . . . . 0.0 111.046 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 69.9 m -139.22 147.33 52.76 Favored Pre-proline 0 N--CA 1.453 -0.3 0 C-N-CA 124.09 0.956 . . . . 0.0 108.564 176.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.19 134.54 25.2 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 123.295 2.663 . . . . 0.0 111.487 -176.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 11.2 mp -108.57 167.58 9.95 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.436 1.094 . . . . 0.0 108.922 174.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -141.34 172.24 12.95 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.061 0.545 . . . . 0.0 110.851 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 35.9 ptt-85 -132.4 159.25 39.82 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.363 0.665 . . . . 0.0 110.399 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -152.01 161.72 42.19 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.087 0.555 . . . . 0.0 109.823 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -79.18 150.24 31.74 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.85 0.46 . . . . 0.0 110.027 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -75.77 161.6 28.9 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 122.588 0.355 . . . . 0.0 111.22 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -137.34 12.36 3.02 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.318 0.647 . . . . 0.0 110.762 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -138.33 160.3 39.84 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 123.85 0.86 . . . . 0.0 110.189 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -91.67 -0.59 57.58 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.046 0.538 . . . . 0.0 111.286 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 74.5 p -85.68 166.61 16.02 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.285 0.634 . . . . 0.0 110.854 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--O 1.25 1.127 0 C-N-CA 124.307 1.043 . . . . 0.0 111.652 -179.027 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 38.6 pt . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 110.915 -0.031 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 427' ' ' ASP . . . . . 0.409 ' HA ' ' HD3' ' A' ' 428' ' ' PRO . 19.7 t70 -148.49 146.66 23.14 Favored Pre-proline 0 CA--C 1.533 0.314 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 428' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 427' ' ' ASP . 52.8 Cg_exo -59.42 -8.35 6.77 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 123.877 3.051 . . . . 0.0 114.258 179.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -138.55 159.11 42.9 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.371 0.532 . . . . 0.0 110.477 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 0.401 HD23 ' H ' ' A' ' 430' ' ' LEU . 1.9 pt? -150.15 162.76 39.82 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.14 0.576 . . . . 0.0 110.772 -179.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -119.94 10.05 11.42 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.971 0.508 . . . . 0.0 111.331 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -113.44 159.53 19.4 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.51 0.724 . . . . 0.0 110.493 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 66.3 p -146.39 161.63 39.95 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 122.881 0.472 . . . . 0.0 111.144 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.55 HD21 ' HB2' ' A' ' 439' ' ' SER . 43.2 tp -150.71 147.49 27.4 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 36.3 t -59.66 127.12 30.42 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 175.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -86.23 3.82 41.43 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 112.602 0.594 . . . . 0.0 112.602 -174.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 35.0 mm -122.45 -24.98 2.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 117.88 0.309 . . . . 0.0 110.498 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 9.1 m -121.19 -35.03 3.37 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 122.219 0.208 . . . . 0.0 111.204 -174.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 439' ' ' SER . . . . . 0.55 ' HB2' HD21 ' A' ' 434' ' ' LEU . 13.2 p 41.61 27.41 0.06 Allowed 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.974 1.31 . . . . 0.0 114.111 -176.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 75.4 m -94.57 -10.45 32.01 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.408 0.683 . . . . 0.0 110.328 177.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -152.41 160.18 31.64 Favored Pre-proline 0 C--O 1.233 0.229 0 C-N-CA 124.233 1.013 . . . . 0.0 109.002 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -56.11 -9.45 3.32 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 124.396 3.397 . . . . 0.0 114.633 -175.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 75.82 91.26 0.21 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 -177.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -73.76 -7.38 20.02 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.623 2.882 . . . . 0.0 111.557 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -127.38 159.01 35.76 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 122.771 0.428 . . . . 0.0 111.453 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -145.64 151.02 37.39 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.503 1.121 . . . . 0.0 108.177 175.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 34.7 t -117.69 124.75 49.29 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.514 ' CD ' ' H ' ' A' ' 448' ' ' ARG . 0.0 OUTLIER -93.43 7.27 45.17 Favored 'General case' 0 CA--C 1.527 0.088 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -172.342 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -82.3 158.64 23.37 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.089 0.471 . . . . 0.0 111.093 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -72.82 -2.96 22.62 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 123.387 0.675 . . . . 0.0 112.56 -174.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 20.3 m -113.58 -0.51 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 122.781 0.433 . . . . 0.0 111.644 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 62.2 m -120.72 -69.94 0.81 Allowed 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 176.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 26.8 t80 47.24 33.22 2.45 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.278 1.431 . . . . 0.0 113.956 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -141.16 167.71 21.53 Favored 'General case' 0 C--N 1.339 0.15 0 O-C-N 121.891 -0.505 . . . . 0.0 111.334 -176.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -86.59 149.6 24.82 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.31 0.644 . . . . 0.0 109.598 175.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -148.98 172.64 14.39 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.401 0.62 . . . . 0.0 110.8 -176.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 22.0 p -124.3 176.71 6.27 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.491 1.516 . . . . 0.0 107.877 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -57.49 -35.34 70.09 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.241 0.473 . . . . 0.0 111.453 -174.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 75.1 m -67.12 -51.48 53.52 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 122.482 0.313 . . . . 0.0 111.349 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 15.5 p -86.81 -16.71 35.37 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -174.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -63.19 -38.24 90.39 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 172.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -77.86 -26.94 49.64 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.846 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 47.2 m0 -70.33 -13.81 62.31 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 118.62 0.646 . . . . 0.0 111.194 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.5 tpp85 -113.97 -16.37 12.18 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 122.874 0.47 . . . . 0.0 112.088 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -130.1 0.72 4.7 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -172.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 32.3 t -78.47 -14.0 59.57 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.899 0.772 . . . . 0.0 109.84 174.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.6 ptp -74.61 152.99 39.18 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.845 0.458 . . . . 0.0 109.77 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -72.36 -14.97 61.86 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.425 -0.172 . . . . 0.0 111.373 -176.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -79.12 -29.06 52.31 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-O 119.08 -0.844 . . . . 0.0 113.248 -176.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 66.2 mt -125.23 19.88 8.2 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.398 1.099 . . . . 0.0 112.212 -175.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -68.96 0.6 4.28 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -96.96 -2.36 43.78 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.579 0.751 . . . . 0.0 112.247 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -74.82 157.08 35.75 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.161 0.437 . . . . 0.0 110.189 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 474' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 475' ' ' PRO . 50.6 m -134.81 141.11 37.31 Favored Pre-proline 0 C--O 1.232 0.159 0 CA-C-O 119.184 -0.436 . . . . 0.0 110.027 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 475' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 474' ' ' SER . 52.4 Cg_exo -58.08 157.83 23.77 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 123.639 2.893 . . . . 0.0 113.422 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 30.3 tp -144.56 151.03 38.48 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 176.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.0 -32.28 27.04 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 118.239 0.472 . . . . 0.0 112.175 -175.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -165.18 161.64 19.54 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 117.949 0.34 . . . . 0.0 111.128 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -103.51 8.63 37.78 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.386 0.675 . . . . 0.0 111.32 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -78.6 -2.53 39.41 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.944 0.897 . . . . 0.0 111.754 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -147.5 155.73 42.16 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.451 0.701 . . . . 0.0 109.558 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -145.6 165.96 27.15 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 123.25 0.62 . . . . 0.0 110.189 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -73.68 146.59 44.38 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 122.715 0.406 . . . . 0.0 109.916 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -143.02 153.89 43.43 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 123.341 0.656 . . . . 0.0 109.939 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 43.1 m -139.51 4.1 2.15 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 122.969 0.508 . . . . 0.0 111.802 -176.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 117.164 -1.398 . . . . 0.0 110.905 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 53.1 mt . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -142.12 152.7 62.15 Favored Pre-proline 0 C--O 1.234 0.242 0 C-N-CA 123.277 0.631 . . . . 0.0 109.43 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -70.87 164.26 36.26 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.469 2.78 . . . . 0.0 110.566 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -144.52 169.59 17.66 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 122.863 0.465 . . . . 0.0 110.155 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 430' ' ' LEU . 3.3 mm? -70.67 161.69 30.34 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 123.067 0.547 . . . . 0.0 110.55 -177.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -80.74 -7.66 59.43 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 122.926 0.491 . . . . 0.0 111.285 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -76.12 7.14 4.42 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 121.786 -0.571 . . . . 0.0 112.299 -179.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 79.4 p -76.82 -6.73 53.54 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 122.573 0.349 . . . . 0.0 111.503 178.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 3.2 tp -59.18 156.77 11.61 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.787 0.835 . . . . 0.0 110.71 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 39.6 t -58.04 129.19 40.8 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 174.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -83.22 1.35 41.2 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.988 -0.445 . . . . 0.0 111.933 -175.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 30.9 mm -122.54 -21.33 3.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 122.689 0.396 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 19.3 m -126.44 -26.15 3.35 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.633 0.373 . . . . 0.0 111.884 -173.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 16.0 p 40.04 38.25 0.47 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.298 1.439 . . . . 0.0 114.344 176.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 67.6 m -121.39 -0.14 9.89 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.242 0.617 . . . . 0.0 111.797 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.73 155.54 41.35 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 124.334 1.054 . . . . 0.0 109.525 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -69.42 24.0 0.16 Allowed 'Trans proline' 0 CA--C 1.534 0.498 0 C-N-CA 125.033 3.822 . . . . 0.0 113.686 -176.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 64.92 74.89 0.43 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -69.65 -9.4 26.05 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 123.299 2.666 . . . . 0.0 111.451 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -132.05 152.82 50.95 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 121.245 0.545 . . . . 0.0 111.516 177.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -151.78 161.1 43.21 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.975 1.31 . . . . 0.0 108.525 177.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 6.5 t -135.7 154.5 51.25 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 117.86 0.3 . . . . 0.0 110.197 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -103.07 -3.45 25.91 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -173.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.55 155.16 23.44 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 118.68 0.673 . . . . 0.0 111.055 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -74.99 -4.65 39.53 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.349 0.66 . . . . 0.0 112.197 -175.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.39 -8.39 9.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 11.3 p -149.04 35.94 0.76 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.015 0.526 . . . . 0.0 110.914 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -68.84 22.62 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.809 1.244 . . . . 0.0 113.376 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -107.88 164.57 12.15 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.408 0.683 . . . . 0.0 111.289 -175.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -81.02 146.46 30.65 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -143.69 170.93 14.93 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.325 0.583 . . . . 0.0 111.222 -175.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 27.4 p -117.5 179.03 4.17 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.31 1.444 . . . . 0.0 107.457 172.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -61.11 -32.42 72.1 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.658 0.663 . . . . 0.0 111.526 -174.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 19.5 t -73.01 -50.74 21.38 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 122.172 0.189 . . . . 0.0 111.311 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 16.9 p -82.61 -16.01 50.01 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 -178.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -61.16 -41.53 96.94 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 170.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -71.92 -29.16 64.02 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.735 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 52.8 m0 -69.67 -12.22 61.46 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 118.793 0.724 . . . . 0.0 111.591 177.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -118.68 -7.88 10.47 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -139.06 -1.14 1.79 Allowed 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -174.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 22.9 t -81.12 -13.78 58.35 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 119.047 0.839 . . . . 0.0 109.921 175.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.6 ptp -73.49 150.87 41.29 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.999 0.519 . . . . 0.0 109.825 176.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 468' ' ' GLU . . . . . 0.45 ' CD ' ' H ' ' A' ' 468' ' ' GLU . 1.1 pm0 -69.95 -7.23 38.85 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -177.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -84.38 -30.99 26.16 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 118.871 -0.961 . . . . 0.0 112.743 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 67.2 mt -126.67 14.93 7.56 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 118.345 1.072 . . . . 0.0 112.774 -174.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -70.02 2.02 3.98 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.933 -0.48 . . . . 0.0 112.128 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -94.44 -1.72 53.1 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.559 0.744 . . . . 0.0 112.055 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -76.45 164.11 26.3 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.732 0.413 . . . . 0.0 110.816 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 52.7 m -124.56 146.87 53.84 Favored Pre-proline 0 N--CA 1.454 -0.27 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -74.79 136.49 20.93 Favored 'Trans proline' 0 N--CA 1.45 -1.057 0 C-N-CA 123.248 2.632 . . . . 0.0 112.043 -176.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.85 167.62 11.24 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 172.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -149.5 169.88 19.88 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.825 0.345 . . . . 0.0 110.89 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -61.59 141.59 57.68 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -111.09 -0.38 16.62 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -174.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -143.84 148.89 36.16 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 122.705 0.402 . . . . 0.0 110.506 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -150.99 150.39 30.72 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.975 0.91 . . . . 0.0 109.095 177.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -71.7 162.52 29.33 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 122.697 0.399 . . . . 0.0 111.342 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -76.16 155.48 34.56 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -146.89 156.76 43.34 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.214 0.606 . . . . 0.0 110.61 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 53.3 m -141.53 11.26 2.09 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.033 0.933 . . . . 0.0 110.889 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 43.9 m . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.031 -1.462 . . . . 0.0 111.159 -178.534 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 48.8 mm . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -121.59 155.01 60.08 Favored Pre-proline 0 CA--C 1.533 0.301 0 C-N-CA 122.844 0.458 . . . . 0.0 110.416 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -73.27 -4.87 16.18 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.871 3.047 . . . . 0.0 111.708 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -143.01 155.68 44.7 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.593 0.757 . . . . 0.0 109.612 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 53.9 tp -148.68 149.19 31.03 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.943 0.402 . . . . 0.0 110.074 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -145.62 146.74 31.46 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.67 0.788 . . . . 0.0 108.902 177.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -152.38 171.15 18.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.109 0.48 . . . . 0.0 111.785 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 23.3 t -143.76 168.48 19.81 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.042 0.937 . . . . 0.0 108.735 177.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.508 HD22 ' H ' ' A' ' 434' ' ' LEU . 1.8 mm? -71.31 175.79 5.1 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 121.181 0.515 . . . . 0.0 111.138 -177.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 40.1 t -52.4 142.65 16.9 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.384 0.674 . . . . 0.0 109.76 172.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -84.78 0.3 51.2 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 -174.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 34.5 mm -118.7 -20.42 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.126 0 CA-C-N 118.396 0.544 . . . . 0.0 111.578 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.2 p -135.26 -18.3 1.76 Allowed 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -177.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 439' ' ' SER . . . . . 0.447 ' HA ' ' HB3' ' A' ' 434' ' ' LEU . 21.2 p 41.35 40.72 1.3 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 178.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 26.3 m -126.91 -0.25 6.61 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 124.414 1.086 . . . . 0.0 111.432 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -134.94 158.19 75.47 Favored Pre-proline 0 N--CA 1.454 -0.226 0 C-N-CA 124.05 0.94 . . . . 0.0 109.424 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -62.67 -2.35 3.36 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 124.887 3.725 . . . . 0.0 115.089 -171.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 61.53 49.94 71.64 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -175.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -70.97 -9.63 26.05 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 124.044 3.163 . . . . 0.0 112.877 -172.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -119.44 154.4 33.76 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.123 0.487 . . . . 0.0 111.664 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -147.84 152.96 38.52 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.782 1.233 . . . . 0.0 108.333 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 9.1 t -125.68 152.12 45.67 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.795 0.331 . . . . 0.0 110.918 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 45.7 mtm105 -92.88 -7.7 45.45 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -171.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.21 157.48 17.15 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 118.819 0.736 . . . . 0.0 110.856 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -73.98 -6.06 45.09 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -175.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 28.2 m -97.2 -10.18 8.89 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 CA-C-N 117.821 0.282 . . . . 0.0 111.345 -178.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 4.2 p -146.93 36.31 0.94 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.604 0.762 . . . . 0.0 110.363 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -73.72 34.61 0.08 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.514 1.125 . . . . 0.0 113.194 -175.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -131.67 170.21 15.1 Favored 'General case' 0 N--CA 1.458 -0.053 0 C-N-CA 123.813 0.845 . . . . 0.0 109.852 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -82.31 143.21 31.45 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -145.72 165.88 27.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.193 0.597 . . . . 0.0 110.69 -177.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 23.5 p -103.45 177.55 4.81 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.383 1.073 . . . . 0.0 109.166 173.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -58.92 -31.09 68.34 Favored 'General case' 0 CA--C 1.528 0.098 0 O-C-N 122.065 -0.397 . . . . 0.0 111.659 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 8.2 t -72.13 -48.6 42.51 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.822 0.82 . . . . 0.0 109.913 -178.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 37.6 m -80.2 -19.91 45.93 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.684 -172.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -67.19 -41.35 86.02 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 171.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -72.47 -16.35 61.8 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.885 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 54.3 m0 -86.71 -12.98 46.69 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.037 0.38 . . . . 0.0 111.82 175.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -109.73 -1.74 17.81 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 123.176 0.59 . . . . 0.0 111.8 175.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -136.9 19.43 3.03 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 117.944 0.338 . . . . 0.0 111.704 -177.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 54.8 p -68.37 -26.52 65.62 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 122.523 0.329 . . . . 0.0 111.045 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.3 ptp -82.17 152.25 26.56 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 122.781 0.433 . . . . 0.0 110.795 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 468' ' ' GLU . . . . . 0.451 ' CD ' ' H ' ' A' ' 468' ' ' GLU . 1.1 pm0 -73.17 -9.44 58.72 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.627 0.371 . . . . 0.0 111.898 -178.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -81.77 -13.5 79.64 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-O 118.966 -0.908 . . . . 0.0 113.551 -176.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 66.8 mt -119.91 19.14 12.44 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 118.616 1.208 . . . . 0.0 112.0 -177.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -74.53 0.55 14.47 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -90.62 -3.19 57.71 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.351 0.66 . . . . 0.0 111.478 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 41.3 m170 -76.13 162.98 27.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.345 0.658 . . . . 0.0 111.67 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 75.6 p -144.62 149.61 44.2 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 123.893 0.877 . . . . 0.0 109.394 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -68.63 156.11 66.62 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 123.563 2.842 . . . . 0.0 111.004 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 11.9 tp -146.62 160.33 42.31 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.341 0.656 . . . . 0.0 109.573 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 72.3 mtm -138.35 159.26 42.52 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.052 0.541 . . . . 0.0 110.058 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 48.8 tpt85 -83.56 -12.89 55.59 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 122.767 0.427 . . . . 0.0 111.163 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -144.35 162.82 35.48 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -148.23 154.77 40.52 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.232 0.613 . . . . 0.0 109.747 -178.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -135.26 165.12 26.16 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 123.231 0.613 . . . . 0.0 110.527 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -148.01 166.25 28.31 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.336 0.654 . . . . 0.0 109.643 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -137.07 164.21 28.94 Favored 'General case' 0 C--O 1.23 0.044 0 C-N-CA 123.397 0.679 . . . . 0.0 110.273 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -147.1 155.31 42.07 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.173 0.589 . . . . 0.0 110.389 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 83.6 p -151.69 165.47 34.29 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 122.886 0.475 . . . . 0.0 111.015 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 65.2 m . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.592 -1.194 . . . . 0.0 110.256 -179.679 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 41.0 pt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 119.986 -0.054 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -146.81 77.39 11.2 Favored Pre-proline 0 CA--C 1.532 0.264 0 C-N-CA 122.988 0.515 . . . . 0.0 110.123 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -58.07 162.78 10.84 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.893 3.062 . . . . 0.0 112.321 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -140.51 167.02 23.14 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.886 0.474 . . . . 0.0 110.382 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 83.3 mt -80.8 -4.2 53.78 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.939 0.496 . . . . 0.0 112.017 -176.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -135.05 167.54 20.77 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.57 0.748 . . . . 0.0 110.052 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -77.24 32.93 0.15 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.655 0.782 . . . . 0.0 111.668 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.3 t -81.82 11.29 5.06 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.668 0.787 . . . . 0.0 112.03 -178.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.464 ' HB3' ' HA ' ' A' ' 439' ' ' SER . 2.6 mm? -70.86 171.03 11.37 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.083 0.468 . . . . 0.0 110.466 178.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 30.8 t -54.03 135.75 42.6 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 169.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -71.91 -10.42 59.75 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -173.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 39.8 mm -122.47 -26.77 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 122.378 0.271 . . . . 0.0 110.999 -176.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.1 m -105.17 -24.08 12.8 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -173.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 439' ' ' SER . . . . . 0.464 ' HA ' ' HB3' ' A' ' 434' ' ' LEU . 22.6 p 35.96 48.14 0.48 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.803 1.241 . . . . 0.0 114.131 177.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 44.7 m -131.32 -16.83 3.06 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.211 0.605 . . . . 0.0 111.822 -177.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -158.52 158.24 29.36 Favored Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 123.683 0.793 . . . . 0.0 109.284 177.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -65.39 107.46 1.01 Allowed 'Trans proline' 0 N--CA 1.449 -1.146 0 C-N-CA 122.561 2.174 . . . . 0.0 107.887 170.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -51.1 136.11 30.47 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 123.238 0.447 . . . . 0.0 112.013 -177.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -75.12 -7.83 19.4 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 124.381 3.387 . . . . 0.0 111.541 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -130.39 156.53 44.57 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.91 0.484 . . . . 0.0 111.216 -179.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -136.26 137.85 41.19 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 173.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 19.0 t -100.25 116.28 31.86 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -87.3 6.14 34.92 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -172.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.55 156.31 22.85 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.039 -0.413 . . . . 0.0 110.662 177.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -70.84 -18.56 62.71 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -172.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 27.5 m -91.56 -8.18 10.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 118.474 0.579 . . . . 0.0 111.726 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 62.5 m -113.57 -65.66 1.16 Allowed 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 22.2 t80 47.93 25.71 0.81 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.931 1.692 . . . . 0.0 114.771 175.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -140.89 173.09 11.82 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.5 0.591 . . . . 0.0 111.465 -177.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -82.59 150.0 27.13 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.537 0.735 . . . . 0.0 110.688 177.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -151.01 173.84 13.85 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.474 0.709 . . . . 0.0 110.114 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 21.5 p -125.74 174.0 8.63 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.65 1.18 . . . . 0.0 108.256 175.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -58.37 -34.26 70.49 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.938 -0.477 . . . . 0.0 112.013 -172.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 74.9 m -69.05 -48.68 62.2 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -176.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 23.3 p -88.95 -16.73 31.06 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 111.449 0.166 . . . . 0.0 111.449 -174.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -62.75 -39.38 93.96 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 171.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -73.7 -30.28 62.77 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.589 177.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 47.1 m0 -70.06 -12.37 61.56 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.661 0.664 . . . . 0.0 111.523 178.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 27.8 mmt85 -118.69 -4.31 10.76 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 178.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -133.33 3.56 3.64 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 73.2 m -76.87 -13.79 59.96 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 121.368 -0.832 . . . . 0.0 110.591 173.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.3 ptp -73.51 151.33 41.04 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 176.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -72.02 -17.55 62.03 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -175.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -78.58 -22.06 67.91 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 118.978 -0.901 . . . . 0.0 113.827 -175.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 58.9 mt -120.56 25.04 10.01 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 118.576 1.188 . . . . 0.0 112.14 -174.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 29.5 mmt85 -68.81 -2.55 9.74 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.943 0.497 . . . . 0.0 112.163 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -97.42 -1.65 43.85 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.696 0.798 . . . . 0.0 112.47 -175.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -75.88 158.51 32.0 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 118.269 0.486 . . . . 0.0 111.128 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 54.3 p -145.97 147.82 33.46 Favored Pre-proline 0 N--CA 1.453 -0.302 0 C-N-CA 123.443 0.697 . . . . 0.0 109.79 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -71.78 161.16 45.93 Favored 'Trans proline' 0 N--CA 1.449 -1.114 0 C-N-CA 123.461 2.774 . . . . 0.0 111.336 -177.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 476' ' ' LEU . . . . . 0.469 ' HG ' ' H ' ' A' ' 478' ' ' ARG . 53.7 tp -141.93 147.09 36.46 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.709 0.803 . . . . 0.0 109.315 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -127.88 9.96 6.44 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.017 0.527 . . . . 0.0 111.53 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 478' ' ' ARG . . . . . 0.469 ' H ' ' HG ' ' A' ' 476' ' ' LEU . 76.9 mtm180 55.58 16.53 1.92 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.504 1.121 . . . . 0.0 113.094 -177.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -150.85 167.61 26.99 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -109.71 171.41 7.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.126 0.57 . . . . 0.0 111.103 -178.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -99.64 -12.89 19.65 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.076 0.55 . . . . 0.0 110.908 178.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -111.4 -7.91 14.34 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.253 0.621 . . . . 0.0 111.203 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -142.87 165.43 27.4 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.675 0.79 . . . . 0.0 109.194 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -146.28 155.98 43.04 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.618 0.367 . . . . 0.0 110.277 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 31.7 t -152.42 160.64 43.25 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.933 0.493 . . . . 0.0 110.447 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 C--O 1.252 1.196 0 CA-C-O 117.584 -1.198 . . . . 0.0 110.278 -179.297 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 66.2 mt . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 427' ' ' ASP . . . . . 0.422 ' HA ' ' HD3' ' A' ' 428' ' ' PRO . 27.8 t70 -147.54 143.67 18.29 Favored Pre-proline 0 CA--C 1.534 0.33 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 428' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 427' ' ' ASP . 54.4 Cg_exo -56.65 153.21 37.18 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 123.519 2.812 . . . . 0.0 113.007 -179.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -83.72 -7.4 59.49 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.373 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 42.8 tp -76.64 -14.06 60.01 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.691 0.397 . . . . 0.0 110.432 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -86.74 -2.15 58.31 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 122.794 0.438 . . . . 0.0 110.992 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -90.8 -8.85 48.51 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.126 0.57 . . . . 0.0 111.026 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 50.0 m -81.5 154.71 26.16 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 122.849 0.46 . . . . 0.0 110.593 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.451 ' HB3' ' HA ' ' A' ' 439' ' ' SER . 2.7 mm? -104.87 177.91 4.71 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.169 0.509 . . . . 0.0 111.086 179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 12.0 t -56.97 137.66 55.26 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 169.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -78.89 -0.77 32.1 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 33.3 mm -123.44 -24.34 2.29 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 C-N-CA 122.689 0.395 . . . . 0.0 110.877 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 30.6 m -114.9 -24.85 8.44 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -172.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 439' ' ' SER . . . . . 0.451 ' HA ' ' HB3' ' A' ' 434' ' ' LEU . 20.3 p 41.94 39.19 1.21 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.117 0.967 . . . . 0.0 113.116 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 79.3 p -134.56 -14.13 2.23 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.584 0.754 . . . . 0.0 112.332 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -132.11 159.91 70.11 Favored Pre-proline 0 N--CA 1.456 -0.17 0 C-N-CA 123.882 0.873 . . . . 0.0 109.264 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -62.45 6.94 0.16 Allowed 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 124.949 3.766 . . . . 0.0 114.975 -175.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 57.75 58.46 14.49 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 -175.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -70.87 -11.08 28.89 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 123.967 3.112 . . . . 0.0 112.404 -169.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -121.37 151.76 39.78 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.101 0.477 . . . . 0.0 111.479 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -149.21 155.38 40.54 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.889 0.876 . . . . 0.0 108.73 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 7.6 t -131.13 162.13 30.58 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 122.744 0.417 . . . . 0.0 110.391 -176.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 48.7 tpt85 -100.59 -16.98 17.28 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 -170.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.72 155.75 24.13 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.708 0.685 . . . . 0.0 110.866 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -70.54 -4.36 22.61 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.224 0.609 . . . . 0.0 112.314 -175.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 23.3 m -101.06 -8.81 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 122.647 0.379 . . . . 0.0 111.298 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 3.9 p -146.19 32.28 1.0 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.625 0.77 . . . . 0.0 111.142 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -75.37 38.14 0.14 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.388 1.075 . . . . 0.0 112.349 -177.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -132.84 167.36 20.34 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 123.696 0.799 . . . . 0.0 110.207 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -83.13 140.14 32.78 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -143.94 170.44 15.9 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.305 0.642 . . . . 0.0 110.993 -174.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 22.6 p -116.27 179.82 3.88 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.178 1.391 . . . . 0.0 107.846 173.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 61.4 ttt85 -60.3 -31.66 70.47 Favored 'General case' 0 N--CA 1.462 0.131 0 O-C-N 121.692 -0.63 . . . . 0.0 111.813 -173.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 17.5 t -73.06 -49.72 27.01 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 120.437 0.161 . . . . 0.0 111.374 -174.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 7.0 p -84.02 -16.18 44.87 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 119.585 -0.245 . . . . 0.0 111.422 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -62.83 -39.31 93.94 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 170.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -72.35 -27.73 62.59 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.187 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.7 m0 -72.98 -10.08 59.42 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.784 0.72 . . . . 0.0 111.584 176.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -115.52 -3.96 12.32 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 118.875 -0.584 . . . . 0.0 112.317 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -138.35 14.51 2.79 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.889 0.768 . . . . 0.0 112.985 -176.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 58.5 p -72.12 -24.99 61.55 Favored 'General case' 0 C--O 1.232 0.148 0 O-C-N 122.11 -0.369 . . . . 0.0 110.981 176.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 21.7 ptp -76.44 145.38 39.32 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 122.776 0.43 . . . . 0.0 110.119 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.39 -10.02 57.92 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -175.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -80.87 -15.22 78.07 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-O 118.753 -1.026 . . . . 0.0 112.727 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 68.1 mt -123.03 13.08 9.72 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 118.606 1.203 . . . . 0.0 112.765 -176.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -74.58 4.62 5.84 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 118.738 0.699 . . . . 0.0 111.842 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -90.7 -3.99 57.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.653 0.781 . . . . 0.0 111.301 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -77.35 160.53 28.73 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.213 0.605 . . . . 0.0 111.221 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 62.8 m -138.82 132.48 16.17 Favored Pre-proline 0 C--O 1.233 0.214 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -62.09 142.08 90.97 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 122.796 2.331 . . . . 0.0 113.011 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 11.1 mp -102.31 152.39 21.13 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 170.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 86.7 mmm -123.07 17.62 10.01 Favored 'General case' 0 C--O 1.231 0.082 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -172.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 92.5 mtm-85 54.07 19.99 2.31 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.592 0.757 . . . . 0.0 112.522 -174.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -148.85 163.34 37.71 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.426 0.69 . . . . 0.0 109.509 -178.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.29 171.38 14.4 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.009 0.524 . . . . 0.0 111.155 -178.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -135.82 162.03 33.95 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 123.849 0.86 . . . . 0.0 110.051 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -78.39 160.85 27.56 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.409 0.284 . . . . 0.0 110.245 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -146.72 165.14 30.52 Favored 'General case' 0 N--CA 1.457 -0.093 0 C-N-CA 123.109 0.564 . . . . 0.0 110.779 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -147.63 153.95 40.02 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.998 0.519 . . . . 0.0 110.177 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 50.7 m -142.21 2.04 1.46 Allowed 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.12 0.568 . . . . 0.0 111.851 -177.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 50.6 p . . . . . 0 C--O 1.253 1.241 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.869 -178.946 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 67.4 mt . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -78.49 152.53 78.41 Favored Pre-proline 0 C--O 1.234 0.266 0 C-N-CA 122.756 0.422 . . . . 0.0 110.455 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -71.11 160.32 49.51 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 123.605 2.87 . . . . 0.0 110.813 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -78.55 -5.73 53.55 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 122.554 0.342 . . . . 0.0 111.745 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 47.3 tp -66.53 -15.25 63.26 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.285 0.634 . . . . 0.0 110.724 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -104.19 15.06 29.2 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.443 0.697 . . . . 0.0 111.104 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -135.3 169.17 17.88 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.429 0.692 . . . . 0.0 110.231 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 79.6 p -82.12 0.62 39.91 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -177.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 3.5 tp -63.25 161.32 13.99 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.318 0.647 . . . . 0.0 110.418 178.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 38.4 t -60.23 127.97 34.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 173.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -81.1 2.77 25.92 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 32.6 mm -127.01 -23.85 1.64 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.173 0 C-N-CA 122.767 0.427 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 19.2 m -120.27 -27.36 5.26 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.883 0.473 . . . . 0.0 111.796 -173.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 19.6 p 40.18 39.25 0.62 Allowed 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 177.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 37.2 m -122.66 0.02 9.23 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 123.143 0.577 . . . . 0.0 111.497 177.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.41 155.81 45.93 Favored Pre-proline 0 N--CA 1.455 -0.224 0 C-N-CA 124.273 1.029 . . . . 0.0 109.277 -179.29 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -71.55 29.82 0.24 Allowed 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 125.005 3.804 . . . . 0.0 113.066 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 59.03 75.06 0.29 Allowed Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -70.32 -8.49 23.73 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.307 2.672 . . . . 0.0 111.604 -176.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -136.07 152.94 51.4 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.326 0.584 . . . . 0.0 111.958 178.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -151.56 151.94 32.24 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 7.2 t -121.28 141.04 51.28 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -86.75 -2.39 58.51 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -174.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -88.43 155.28 19.77 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 118.145 0.43 . . . . 0.0 110.855 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 450' ' ' GLN . . . . . 0.494 ' H ' ' CD ' ' A' ' 450' ' ' GLN . 0.0 OUTLIER -77.37 -0.74 26.85 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -174.569 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 28.8 m -102.95 -9.51 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 C-N-CA 122.497 0.319 . . . . 0.0 111.47 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 2.5 p -145.92 36.69 1.04 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.359 0.664 . . . . 0.0 110.29 177.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -74.26 41.58 0.14 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.818 1.247 . . . . 0.0 112.764 -176.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -134.89 165.6 24.94 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 123.344 0.658 . . . . 0.0 110.598 -177.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -80.25 139.85 36.49 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 121.0 0.428 . . . . 0.0 109.935 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -145.69 174.12 11.48 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.548 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 26.5 p -119.18 -178.65 3.63 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.046 1.339 . . . . 0.0 107.768 174.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -62.43 -26.07 68.3 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.511 -0.743 . . . . 0.0 111.932 -174.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 21.7 t -76.54 -52.72 9.21 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 117.806 0.275 . . . . 0.0 110.926 -175.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 4.6 p -80.15 -15.49 56.98 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 111.468 0.173 . . . . 0.0 111.468 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 37.3 t-105 -64.58 -41.57 96.17 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -71.97 -19.79 61.83 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.668 177.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 53.6 m0 -81.48 -14.4 57.04 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.596 0.634 . . . . 0.0 111.813 175.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -105.32 -5.96 20.05 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.234 0.47 . . . . 0.0 111.216 175.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -134.68 23.03 3.64 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 117.827 0.285 . . . . 0.0 111.472 -177.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 53.8 p -70.1 -22.68 63.01 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 123.145 0.578 . . . . 0.0 111.496 177.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.9 ptp -94.1 140.43 29.75 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 468' ' ' GLU . . . . . 0.433 ' CD ' ' H ' ' A' ' 468' ' ' GLU . 1.0 OUTLIER -65.93 -8.78 24.36 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 -177.678 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -75.2 -15.47 81.12 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 118.686 -1.063 . . . . 0.0 112.884 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 62.8 mt -123.79 8.12 8.78 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.225 1.013 . . . . 0.0 112.619 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -78.35 7.53 6.36 Favored 'General case' 0 C--O 1.232 0.157 0 O-C-N 121.469 -0.77 . . . . 0.0 111.708 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -88.47 -3.16 58.88 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.579 0.751 . . . . 0.0 110.569 174.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -73.81 168.21 19.87 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.913 0.885 . . . . 0.0 110.804 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 78.2 p -136.16 148.33 64.14 Favored Pre-proline 0 N--CA 1.456 -0.134 0 C-N-CA 123.026 0.53 . . . . 0.0 110.188 177.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -72.35 162.18 42.26 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.694 2.929 . . . . 0.0 111.77 -177.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 16.3 tp -144.47 150.76 38.15 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.058 0.943 . . . . 0.0 108.634 177.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -136.47 26.68 3.13 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -174.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 80.7 mtm-85 56.22 15.08 1.74 Allowed 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.928 0.891 . . . . 0.0 112.668 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -153.86 161.37 42.09 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.329 0.652 . . . . 0.0 109.735 -178.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -135.35 152.68 51.68 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.214 0.606 . . . . 0.0 109.621 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -137.98 161.4 36.8 Favored 'General case' 0 C--O 1.23 0.054 0 C-N-CA 122.832 0.453 . . . . 0.0 110.457 -177.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -147.88 155.92 42.13 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.319 0.648 . . . . 0.0 110.043 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -140.34 -6.0 1.22 Allowed 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.746 0.818 . . . . 0.0 110.795 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 53.29 23.16 3.07 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.16 0.984 . . . . 0.0 112.726 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 81.2 p -87.5 -0.82 57.38 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.307 0.643 . . . . 0.0 112.051 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 C--O 1.25 1.126 0 CA-C-O 117.339 -1.315 . . . . 0.0 110.622 -179.442 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 9.0 tp . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -147.97 152.65 40.71 Favored Pre-proline 0 CA--C 1.53 0.209 0 C-N-CA 123.215 0.606 . . . . 0.0 109.797 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -73.99 168.73 24.07 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 124.201 3.267 . . . . 0.0 111.731 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -130.19 160.95 32.29 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.181 0.592 . . . . 0.0 110.831 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 36.9 tp -95.42 -6.46 40.81 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.145 0.578 . . . . 0.0 110.942 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -144.28 155.36 43.81 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.483 0.713 . . . . 0.0 109.615 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -113.52 161.56 17.23 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.77 0.428 . . . . 0.0 111.335 -177.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 21.4 m -96.35 2.9 53.15 Favored 'General case' 0 C--O 1.227 -0.081 0 C-N-CA 123.289 0.636 . . . . 0.0 111.601 -178.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 21.2 tp -82.33 155.58 24.7 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 123.885 0.874 . . . . 0.0 109.518 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 42.5 t -58.56 146.09 36.98 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -92.54 -13.08 30.27 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -169.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 44.3 mm -114.97 -26.75 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 118.751 0.705 . . . . 0.0 111.801 -176.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 5.3 p -129.91 -22.56 2.89 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 118.911 -0.566 . . . . 0.0 111.895 -176.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 5.0 p 45.47 25.73 0.25 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.714 1.206 . . . . 0.0 113.429 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 60.5 m -82.98 -12.44 57.29 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 122.597 0.359 . . . . 0.0 111.337 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -158.13 157.58 29.34 Favored Pre-proline 0 N--CA 1.454 -0.267 0 C-N-CA 123.39 0.676 . . . . 0.0 110.02 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.33 106.21 1.17 Allowed 'Trans proline' 0 N--CA 1.452 -0.968 0 C-N-CA 122.382 2.055 . . . . 0.0 107.468 170.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -50.47 120.52 8.75 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-O 119.823 -0.432 . . . . 0.0 112.042 -175.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -76.79 -7.62 17.6 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 124.029 3.153 . . . . 0.0 111.25 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -126.67 159.23 34.25 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.232 0.539 . . . . 0.0 111.421 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -138.34 154.2 48.98 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 176.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 447' ' ' CYS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 43.4 t -131.26 131.52 43.93 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -177.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -108.57 82.51 1.62 Allowed 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.121 0.569 . . . . 0.0 110.926 -173.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -137.12 174.19 10.88 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.198 175.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -72.67 -13.21 61.3 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.264 0.625 . . . . 0.0 110.912 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 16.2 m -120.05 -14.16 8.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 C-N-CA 122.679 0.391 . . . . 0.0 111.693 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 452' ' ' CYS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 79.8 m -91.46 -97.94 0.12 Allowed 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 175.417 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 25.5 t80 54.8 32.46 17.63 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.574 1.149 . . . . 0.0 112.87 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -143.28 168.62 19.36 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.593 0.757 . . . . 0.0 110.491 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -84.86 149.63 25.55 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.072 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -148.19 170.21 18.35 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.85 0.46 . . . . 0.0 110.514 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 23.9 p -121.22 173.45 7.3 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 174.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -57.31 -38.02 73.38 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.909 -0.494 . . . . 0.0 111.567 -171.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 73.1 m -69.16 -51.54 37.19 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -175.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 25.0 p -84.22 -13.88 51.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.698 -175.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 17.6 t-105 -63.71 -41.17 98.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 170.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -74.09 -23.13 59.29 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.156 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 47.7 m0 -75.07 -18.7 60.25 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 118.546 0.612 . . . . 0.0 111.758 176.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -113.78 -1.61 13.89 Favored 'General case' 0 C--N 1.34 0.169 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -132.56 9.3 4.29 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 62.9 p -76.59 -23.21 53.46 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 122.01 -0.432 . . . . 0.0 110.502 174.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 20.2 ptp -73.56 142.36 46.65 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.076 0.55 . . . . 0.0 109.981 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -66.47 -17.05 64.58 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.735 0.414 . . . . 0.0 111.703 -172.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -75.56 -18.76 79.68 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 118.88 -0.956 . . . . 0.0 113.393 -177.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 69.6 mt -124.92 16.72 8.59 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.48 1.14 . . . . 0.0 113.126 -175.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -72.28 1.26 8.02 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 121.668 -0.645 . . . . 0.0 112.203 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 53.0 p-80 -88.7 -2.6 58.68 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.197 0.599 . . . . 0.0 111.557 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -78.87 158.99 27.99 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.183 0.515 . . . . 0.0 110.879 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 77.7 p -145.15 151.39 48.18 Favored Pre-proline 0 N--CA 1.454 -0.247 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -66.03 153.72 76.94 Favored 'Trans proline' 0 N--CA 1.45 -1.048 0 C-N-CA 123.523 2.815 . . . . 0.0 110.821 -177.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 26.1 tp -137.99 152.8 49.25 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.614 0.766 . . . . 0.0 109.286 -178.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.45 158.86 20.13 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.213 0.605 . . . . 0.0 111.113 -178.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -100.92 -12.27 19.09 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 122.95 0.5 . . . . 0.0 111.287 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -149.12 157.15 43.16 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.174 0.59 . . . . 0.0 109.571 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -145.92 6.26 1.03 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 122.984 0.514 . . . . 0.0 111.142 -178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -142.22 153.66 44.17 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 122.697 0.399 . . . . 0.0 110.874 -178.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -71.67 163.15 28.3 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.99 0.424 . . . . 0.0 110.453 177.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 53.6 ptt85 -149.24 168.75 22.44 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 123.5 0.72 . . . . 0.0 110.523 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -78.58 157.79 28.67 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.266 177.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 9.4 t 57.37 -175.84 0.07 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.01 0.924 . . . . 0.0 112.382 -177.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 62.4 m . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.834 -1.079 . . . . 0.0 110.383 -178.236 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 9.4 tp . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -72.41 153.06 92.08 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 123.024 0.53 . . . . 0.0 110.91 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -72.67 163.68 37.77 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 123.578 2.852 . . . . 0.0 110.857 178.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -130.25 11.82 5.48 Favored 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 123.395 0.678 . . . . 0.0 111.116 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 10.0 mp -78.7 163.37 25.47 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.899 0.38 . . . . 0.0 110.441 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -139.6 169.36 17.89 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 123.932 0.893 . . . . 0.0 109.835 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.91 -7.65 42.19 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.771 0.32 . . . . 0.0 110.598 176.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 85.7 p -89.82 23.11 2.83 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.204 1.001 . . . . 0.0 111.341 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 2.1 tp -54.02 147.53 12.38 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.999 0.52 . . . . 0.0 110.278 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 38.7 t -54.45 129.95 37.73 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -80.11 1.44 27.95 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -176.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 32.9 mm -124.39 -23.86 2.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 122.754 0.422 . . . . 0.0 110.575 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 18.7 m -119.13 -28.33 5.49 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.614 0.366 . . . . 0.0 111.375 -174.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 12.2 p 38.03 38.26 0.18 Allowed 'General case' 0 C--N 1.339 0.151 0 C-N-CA 125.717 1.607 . . . . 0.0 114.507 177.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 75.3 m -110.06 -11.62 14.6 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.646 0.378 . . . . 0.0 111.826 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -159.87 161.94 25.53 Favored Pre-proline 0 N--CA 1.453 -0.304 0 C-N-CA 122.856 0.463 . . . . 0.0 109.961 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.62 108.01 0.38 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 123.127 2.551 . . . . 0.0 108.141 169.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -52.63 122.63 20.16 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -177.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -75.08 -7.89 19.49 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.944 3.096 . . . . 0.0 112.187 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -126.0 148.03 49.39 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 118.392 0.542 . . . . 0.0 112.264 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -154.57 152.03 29.55 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.287 1.035 . . . . 0.0 109.506 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 68.7 m -116.54 142.16 47.24 Favored 'General case' 0 C--O 1.23 0.077 0 C-N-CA 123.137 0.575 . . . . 0.0 110.417 176.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -82.65 -4.73 58.19 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.836 174.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.84 153.97 36.46 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.524 0.73 . . . . 0.0 110.103 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -80.41 -16.01 55.47 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -174.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 34.8 m -84.62 -14.34 11.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 O-C-N 122.028 -0.42 . . . . 0.0 112.092 -177.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 14.9 p -148.55 43.89 1.02 Allowed 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.177 0.591 . . . . 0.0 110.053 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -73.14 41.3 0.1 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.636 1.174 . . . . 0.0 111.892 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -132.37 168.95 17.23 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.144 0.978 . . . . 0.0 110.075 -177.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -87.35 147.15 25.61 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.892 0.377 . . . . 0.0 110.603 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -146.5 172.21 13.89 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.451 0.7 . . . . 0.0 110.409 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 18.8 p -125.54 178.92 5.37 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.969 1.308 . . . . 0.0 108.513 176.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -55.29 -38.88 69.2 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 121.594 -0.691 . . . . 0.0 112.051 -172.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 73.3 m -68.04 -50.28 56.24 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.499 0.319 . . . . 0.0 111.66 -175.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 8.9 p -87.56 -15.95 35.98 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -174.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -62.36 -40.48 96.56 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 171.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -74.83 -27.08 60.14 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.879 177.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 43.2 m0 -72.95 -7.62 51.88 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.308 0.504 . . . . 0.0 111.431 175.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -123.92 -2.69 8.22 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 177.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -139.55 2.73 2.05 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -177.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 37.3 t -75.6 -21.0 58.19 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 118.796 0.726 . . . . 0.0 109.929 175.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.7 ptp -69.06 144.64 53.93 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 175.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 468' ' ' GLU . . . . . 0.446 ' CD ' ' H ' ' A' ' 468' ' ' GLU . 1.2 pm0 -70.26 -6.77 37.2 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -175.081 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -81.99 -22.11 59.97 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-O 118.999 -0.889 . . . . 0.0 113.376 -177.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 67.4 mt -123.92 18.89 9.33 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.478 1.139 . . . . 0.0 112.955 -174.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -73.24 1.3 9.66 Favored 'General case' 0 N--CA 1.462 0.174 0 O-C-N 121.653 -0.654 . . . . 0.0 111.862 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 55.3 p-80 -92.62 -0.72 57.27 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.442 0.697 . . . . 0.0 111.828 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -75.55 162.64 28.12 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.053 0.454 . . . . 0.0 110.568 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 43.6 t -130.91 137.03 29.84 Favored Pre-proline 0 N--CA 1.452 -0.327 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 176.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.1 155.98 66.46 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.097 2.531 . . . . 0.0 111.597 -175.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 25.1 tp -140.28 149.99 43.5 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 90.3 mtp -127.7 166.01 18.94 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.269 0.557 . . . . 0.0 111.876 -173.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -77.03 -8.23 57.07 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.961 0.904 . . . . 0.0 111.484 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -149.2 158.0 43.82 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.413 0.685 . . . . 0.0 109.58 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -142.71 0.33 1.25 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.864 0.466 . . . . 0.0 111.389 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -144.53 144.92 31.56 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.901 -0.499 . . . . 0.0 110.667 -178.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -142.1 5.94 1.72 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.402 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 74.4 mtp85 -142.3 164.01 31.29 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 123.371 0.668 . . . . 0.0 110.219 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -138.27 1.85 2.24 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.231 0.613 . . . . 0.0 110.924 177.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 49.3 m -145.27 157.27 44.1 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.466 0.706 . . . . 0.0 110.496 -178.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 C--O 1.252 1.194 0 CA-C-O 117.267 -1.349 . . . . 0.0 110.913 179.728 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 38.8 pt . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 120.453 0.168 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -146.32 135.65 11.45 Favored Pre-proline 0 CA--C 1.537 0.448 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -71.03 160.69 48.5 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.508 2.805 . . . . 0.0 111.663 -178.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -147.29 160.87 42.0 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.156 0.583 . . . . 0.0 110.934 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 96.7 mt -127.95 12.91 6.76 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.804 0.841 . . . . 0.0 111.48 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -81.87 8.28 10.72 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.283 0.633 . . . . 0.0 112.123 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -72.07 161.54 30.76 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.881 0.473 . . . . 0.0 110.777 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 70.5 m -78.67 -7.84 58.08 Favored 'General case' 0 CA--C 1.527 0.09 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.3 tp -52.98 147.06 9.88 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.809 -0.557 . . . . 0.0 111.465 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 35.8 t -56.62 134.2 54.31 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 175.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -83.13 1.48 40.2 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -175.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 34.2 mm -124.92 -24.58 1.92 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.147 0 C-N-CA 122.759 0.424 . . . . 0.0 110.257 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 17.4 m -116.7 -28.05 6.49 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -173.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 12.8 p 37.05 42.61 0.26 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.273 1.429 . . . . 0.0 114.018 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 12.7 t -123.84 -10.24 7.75 Favored 'General case' 0 CA--C 1.527 0.069 0 C-N-CA 122.535 0.334 . . . . 0.0 111.092 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -150.14 155.98 37.48 Favored Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 123.534 0.734 . . . . 0.0 109.731 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -71.58 11.56 0.62 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 124.524 3.483 . . . . 0.0 112.859 -176.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 68.64 101.39 0.03 OUTLIER Glycine 0 CA--C 1.532 1.107 0 C-N-CA 123.556 0.598 . . . . 0.0 111.796 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -74.97 -10.53 21.31 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 123.138 2.559 . . . . 0.0 111.249 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -128.64 162.6 26.94 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.011 0.524 . . . . 0.0 111.989 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -143.25 159.9 41.46 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.265 1.026 . . . . 0.0 108.677 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 45.3 t -130.79 130.97 44.38 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 122.928 0.491 . . . . 0.0 109.676 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -87.29 -3.41 59.04 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -171.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -80.37 155.95 26.94 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.485 0.584 . . . . 0.0 111.334 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -73.76 -9.49 58.71 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -174.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 33.1 m -95.49 -8.25 9.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 118.165 0.439 . . . . 0.0 110.73 176.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 61.8 m -110.9 -73.46 0.68 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 27.0 t80 48.61 23.05 0.57 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.784 1.634 . . . . 0.0 114.269 175.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -142.67 168.33 19.97 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 123.091 0.557 . . . . 0.0 110.96 -177.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -81.42 146.1 30.45 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.102 176.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -150.15 175.78 11.43 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.502 0.721 . . . . 0.0 110.265 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 14.4 p -120.24 170.35 9.41 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.402 1.081 . . . . 0.0 109.155 177.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -63.14 -24.54 67.94 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 121.768 -0.583 . . . . 0.0 112.28 -174.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 72.7 m -70.02 -55.63 9.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 122.125 -0.359 . . . . 0.0 110.533 -177.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 15.2 p -80.85 -16.87 52.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.947 -176.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 19.9 t-105 -60.82 -45.84 92.88 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 171.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -78.8 -10.38 59.76 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 117.796 0.271 . . . . 0.0 111.594 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 45.7 m0 -85.42 -10.43 56.22 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.554 0.615 . . . . 0.0 111.617 174.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -126.41 -24.53 3.62 Favored 'General case' 0 C--O 1.225 -0.224 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -94.79 14.01 22.75 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.799 0.727 . . . . 0.0 112.473 -176.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 66.0 m -102.47 11.05 38.5 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.214 0.606 . . . . 0.0 112.121 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.3 ptp -115.4 154.56 29.0 Favored 'General case' 0 C--N 1.335 -0.059 0 C-N-CA 123.113 0.565 . . . . 0.0 110.169 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.94 -22.51 49.29 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 -172.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -79.46 -5.71 89.17 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-O 119.494 -0.615 . . . . 0.0 112.986 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.0 mp -139.66 3.78 2.1 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.169 0.985 . . . . 0.0 113.242 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -76.38 15.53 0.58 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 118.94 0.791 . . . . 0.0 112.012 178.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -122.9 7.98 9.33 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.093 0.557 . . . . 0.0 112.088 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -81.34 168.12 18.75 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.859 0.361 . . . . 0.0 110.75 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 78.6 p -127.48 144.82 52.28 Favored Pre-proline 0 N--CA 1.455 -0.217 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -74.58 156.57 44.91 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 123.613 2.875 . . . . 0.0 111.851 -176.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 17.2 tp -148.52 157.75 43.67 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 174.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 66.2 mtt -115.25 154.51 28.94 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.875 0.369 . . . . 0.0 110.977 -178.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -86.92 -12.65 47.05 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.154 0.582 . . . . 0.0 110.961 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -97.49 162.82 13.13 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.011 0.524 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -147.55 164.54 33.12 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 122.769 0.427 . . . . 0.0 110.48 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -91.72 0.04 57.52 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 122.955 0.502 . . . . 0.0 111.291 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 46.6 t30 54.83 33.81 20.6 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.985 0.914 . . . . 0.0 111.902 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 -136.19 154.96 50.79 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 124.06 0.944 . . . . 0.0 109.713 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -96.08 -2.78 45.95 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.008 0.523 . . . . 0.0 110.607 177.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 79.9 p -147.61 173.4 12.76 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.338 1.055 . . . . 0.0 109.836 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 C--O 1.25 1.096 0 CA-C-O 117.608 -1.187 . . . . 0.0 110.429 179.928 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 37.8 pt . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.491 0.186 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -146.1 150.35 41.61 Favored Pre-proline 0 CA--C 1.533 0.311 0 C-N-CA 123.023 0.529 . . . . 0.0 110.213 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -74.15 160.11 43.08 Favored 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 124.23 3.286 . . . . 0.0 111.619 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -78.91 165.58 23.34 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.997 0.519 . . . . 0.0 111.056 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 58.1 tp -145.85 135.67 23.45 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 177.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.465 ' HG3' ' H ' ' A' ' 433' ' ' SER . 9.9 tp10 -157.71 157.74 34.06 Favored 'General case' 0 N--CA 1.457 -0.083 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -72.76 -5.81 40.42 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.755 0.422 . . . . 0.0 111.252 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.465 ' H ' ' HG3' ' A' ' 431' ' ' GLU . 49.4 m -135.8 27.79 3.28 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.155 0.982 . . . . 0.0 110.532 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.437 HD21 ' HB2' ' A' ' 439' ' ' SER . 17.1 tp -52.46 149.78 5.46 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.222 1.009 . . . . 0.0 110.841 -177.212 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 50.5 t -54.92 144.12 23.99 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.475 0.31 . . . . 0.0 110.188 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -95.15 -18.52 20.86 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -170.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 41.3 mm -103.6 -23.2 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 118.361 0.528 . . . . 0.0 111.302 -176.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 6.5 p -141.22 -16.16 0.84 Allowed 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -176.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 439' ' ' SER . . . . . 0.437 ' HB2' HD21 ' A' ' 434' ' ' LEU . 4.0 p 45.2 26.31 0.24 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.287 1.035 . . . . 0.0 113.362 178.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 64.7 m -90.67 -7.33 52.93 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.91 0.484 . . . . 0.0 111.791 -178.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -141.1 158.93 63.42 Favored Pre-proline 0 CA--C 1.53 0.209 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 176.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -60.72 8.93 0.08 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.585 1 C-N-CA 125.427 4.085 . . . . 0.0 115.021 -178.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 70.77 62.19 3.72 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -175.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -69.43 -10.58 29.19 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 124.009 3.139 . . . . 0.0 111.982 -173.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -133.43 156.73 47.18 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.069 0.462 . . . . 0.0 111.304 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -130.45 156.25 45.08 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.501 1.121 . . . . 0.0 109.447 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 19.3 t -120.85 139.38 53.25 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 32.1 ttp-105 -88.19 -19.72 26.52 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -168.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.98 157.74 24.13 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 118.49 0.586 . . . . 0.0 111.595 -175.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -74.48 -8.98 58.1 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -177.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 30.6 m -89.47 -11.69 10.11 Favored 'Isoleucine or valine' 0 C--N 1.338 0.079 0 CA-C-N 117.77 0.259 . . . . 0.0 111.111 177.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 67.5 m -112.1 -63.25 1.45 Allowed 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 175.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 19.4 t80 47.16 20.56 0.14 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.517 1.927 . . . . 0.0 115.754 173.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -142.03 175.93 9.35 Favored 'General case' 0 C--O 1.23 0.069 0 O-C-N 121.612 -0.68 . . . . 0.0 110.938 -177.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -87.4 149.87 24.18 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.85 0.46 . . . . 0.0 109.963 176.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -149.45 173.48 13.52 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.484 0.714 . . . . 0.0 110.1 -176.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 28.3 p -114.8 172.75 6.85 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 173.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -64.44 -26.72 68.57 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.52 -0.737 . . . . 0.0 111.76 -173.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 23.2 t -72.14 -50.94 23.89 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 117.667 0.212 . . . . 0.0 110.858 -176.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 15.2 p -82.92 -13.59 55.79 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 122.389 -0.194 . . . . 0.0 111.201 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -61.31 -40.92 95.95 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 169.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -72.48 -26.81 61.94 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.672 176.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.9 m0 -73.13 -11.66 60.62 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.651 0.66 . . . . 0.0 111.676 177.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 87.8 mmt-85 -120.72 -0.89 10.09 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -134.95 12.23 3.63 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.233 0.47 . . . . 0.0 112.219 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 63.8 p -76.92 -19.07 57.84 Favored 'General case' 0 C--O 1.232 0.139 0 O-C-N 121.939 -0.476 . . . . 0.0 110.922 175.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 20.5 ptp -77.03 150.37 35.79 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.364 0.666 . . . . 0.0 109.818 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.3 -8.74 57.46 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -174.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -85.91 -18.11 60.25 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-O 118.977 -0.902 . . . . 0.0 113.391 -176.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 59.2 mt -118.7 20.92 12.75 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.607 1.203 . . . . 0.0 112.189 -176.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -68.62 -5.35 19.5 Favored 'General case' 0 N--CA 1.461 0.111 0 O-C-N 121.853 -0.529 . . . . 0.0 112.189 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -91.0 -2.76 57.65 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.227 0.611 . . . . 0.0 112.397 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -77.15 156.25 31.75 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.17 0.441 . . . . 0.0 110.007 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 66.0 p -136.68 146.69 56.43 Favored Pre-proline 0 N--CA 1.456 -0.146 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 176.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -73.61 113.84 3.88 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 123.126 2.551 . . . . 0.0 111.786 -173.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 11.1 mp -94.15 174.47 7.13 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 170.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 477' ' ' MET . . . . . 0.412 ' C ' ' HD2' ' A' ' 478' ' ' ARG . 13.6 tpt 61.37 149.52 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.365 1.066 . . . . 0.0 112.244 -176.068 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 478' ' ' ARG . . . . . 0.412 ' HD2' ' C ' ' A' ' 477' ' ' MET . 3.0 mpt_? -139.58 168.08 20.63 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 123.224 0.61 . . . . 0.0 110.107 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -135.02 171.17 14.8 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.481 0.713 . . . . 0.0 110.837 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 57.41 179.51 0.05 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.592 1.157 . . . . 0.0 112.347 -177.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -74.79 164.67 26.32 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 122.643 0.377 . . . . 0.0 111.15 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -145.93 160.08 42.33 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.073 0.549 . . . . 0.0 109.735 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -73.92 150.6 40.75 Favored 'General case' 0 CA--C 1.526 0.051 0 C-N-CA 122.887 0.475 . . . . 0.0 109.997 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -147.97 155.75 41.89 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.275 0.63 . . . . 0.0 109.939 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 49.0 m -142.18 162.3 35.82 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.242 0.617 . . . . 0.0 110.863 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 C--O 1.251 1.138 0 CA-C-O 117.507 -1.235 . . . . 0.0 109.962 -179.556 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 51.3 mm . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -148.2 151.05 36.47 Favored Pre-proline 0 C--O 1.233 0.196 0 C-N-CA 122.737 0.415 . . . . 0.0 110.267 -178.819 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -73.03 159.16 48.4 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.783 2.989 . . . . 0.0 111.396 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -142.05 10.97 1.97 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.359 0.664 . . . . 0.0 111.406 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 96.4 mt -129.2 164.91 22.39 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.804 0.841 . . . . 0.0 110.415 -179.425 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -136.96 -17.17 1.41 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.663 0.385 . . . . 0.0 111.235 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -80.9 -4.83 56.26 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 122.013 -0.43 . . . . 0.0 111.167 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 74.2 p -85.37 -6.57 59.22 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.149 0.579 . . . . 0.0 111.019 178.35 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.4 HD21 ' HB2' ' A' ' 439' ' ' SER . 30.4 tp -81.32 156.96 25.26 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.172 0.989 . . . . 0.0 109.046 178.59 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 42.1 t -56.26 137.86 51.42 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.404 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -84.24 -15.71 45.87 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -168.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 43.2 mm -115.84 -24.93 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 118.985 0.812 . . . . 0.0 112.113 -174.449 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 7.0 p -133.16 -18.12 2.32 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -176.442 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 439' ' ' SER . . . . . 0.4 ' HB2' HD21 ' A' ' 434' ' ' LEU . 5.6 p 44.47 30.29 0.48 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.266 1.027 . . . . 0.0 113.581 176.913 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 18.1 t -86.48 -16.97 35.42 Favored 'General case' 0 CA--C 1.528 0.13 0 O-C-N 122.218 -0.301 . . . . 0.0 111.408 -178.242 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -151.38 156.5 34.92 Favored Pre-proline 0 C--O 1.233 0.207 0 C-N-CA 123.875 0.87 . . . . 0.0 109.48 -179.374 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -68.86 21.53 0.14 Allowed 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 124.976 3.784 . . . . 0.0 113.978 -173.765 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 67.5 94.32 0.04 OUTLIER Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.156 0.884 . . . . 0.0 112.424 176.354 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -74.27 -9.8 22.03 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 123.48 2.787 . . . . 0.0 111.35 176.783 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -133.68 161.29 35.06 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.22 0.608 . . . . 0.0 111.013 -179.662 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -141.45 154.64 45.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.964 0.905 . . . . 0.0 109.208 177.571 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 447' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 49.2 t -134.71 133.26 39.8 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 178.935 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -105.34 15.44 27.27 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -170.775 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.53 168.99 15.1 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 121.852 -0.53 . . . . 0.0 111.806 -179.053 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -69.34 -20.75 63.86 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.691 0.397 . . . . 0.0 110.832 178.453 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 24.9 m -100.84 -20.29 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 119.283 -0.389 . . . . 0.0 111.638 178.242 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 452' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 71.7 m -92.92 -83.47 0.31 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.272 0.487 . . . . 0.0 111.028 178.149 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 23.3 t80 53.07 22.91 2.71 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.107 1.363 . . . . 0.0 113.603 -179.636 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -143.99 173.64 11.54 Favored 'General case' 0 C--N 1.34 0.16 0 O-C-N 121.821 -0.549 . . . . 0.0 111.559 -177.687 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -84.91 150.53 24.9 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.49 0.716 . . . . 0.0 110.567 178.223 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -149.04 174.52 12.21 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.698 0.799 . . . . 0.0 109.662 -179.635 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 26.3 p -123.99 175.61 6.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.479 0.712 . . . . 0.0 109.532 176.473 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.99 -34.33 65.66 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -174.274 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 51.7 m -75.47 -53.48 8.6 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 122.198 -0.314 . . . . 0.0 111.061 -174.679 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 8.8 p -79.61 -17.56 53.57 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.831 -0.168 . . . . 0.0 111.393 -175.836 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -62.71 -45.89 90.64 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 170.574 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -77.98 -7.96 57.52 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 52.4 m0 -84.79 -18.26 35.57 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 118.518 0.599 . . . . 0.0 111.726 173.631 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -120.47 -21.47 6.8 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.366 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -100.52 8.7 43.34 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 118.687 0.676 . . . . 0.0 111.99 -177.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 73.3 p -86.99 -15.18 39.51 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 122.932 0.493 . . . . 0.0 111.752 177.686 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.5 ptp -94.65 156.33 16.47 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.055 0.542 . . . . 0.0 110.468 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -71.78 -8.06 51.96 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -173.505 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -80.41 -12.64 82.83 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.695 -0.503 . . . . 0.0 112.002 177.339 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.3 mp -137.6 11.01 2.94 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 117.908 0.854 . . . . 0.0 112.135 179.772 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -69.41 -4.85 20.21 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 121.721 -0.612 . . . . 0.0 112.492 -176.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -99.7 3.44 45.04 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.929 0.892 . . . . 0.0 112.223 -176.472 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -79.95 161.73 25.34 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 122.553 0.341 . . . . 0.0 110.556 -178.663 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 68.1 m -134.58 147.3 62.69 Favored Pre-proline 0 N--CA 1.456 -0.145 0 C-N-CA 123.183 0.593 . . . . 0.0 109.478 178.203 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.26 154.55 69.56 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 123.59 2.86 . . . . 0.0 111.399 -177.138 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 13.8 tp -145.95 162.51 37.65 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.21 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 64.6 mtt -130.96 161.19 32.47 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.005 0.431 . . . . 0.0 110.596 -177.724 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -79.41 -8.58 59.2 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.453 0.701 . . . . 0.0 111.005 -178.857 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -146.86 165.31 30.12 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.713 0.805 . . . . 0.0 110.398 -179.652 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -77.13 159.43 29.77 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.409 0.284 . . . . 0.0 110.307 178.227 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -144.6 149.99 36.71 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.015 0.526 . . . . 0.0 110.188 -178.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -116.4 164.5 14.45 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.654 0.782 . . . . 0.0 110.396 -178.279 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -143.84 156.82 44.6 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.058 0.543 . . . . 0.0 109.935 -178.829 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -79.22 -1.64 37.35 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.896 0.479 . . . . 0.0 112.106 -177.443 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 78.5 p -146.43 161.29 40.72 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.191 0.596 . . . . 0.0 110.604 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 C--O 1.251 1.173 0 CA-C-O 117.697 -1.144 . . . . 0.0 110.527 -178.441 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 65.6 mt . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -145.51 134.55 11.17 Favored Pre-proline 0 N--CA 1.451 -0.409 0 C-N-CA 123.484 0.714 . . . . 0.0 109.188 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -71.52 160.23 49.03 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.618 2.879 . . . . 0.0 111.872 -177.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -142.63 4.3 1.52 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.125 0.57 . . . . 0.0 111.224 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 47.4 tp -69.64 -21.01 63.58 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.796 -0.565 . . . . 0.0 110.635 -178.286 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.73 0.8 16.55 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.33 0.252 . . . . 0.0 111.463 179.416 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -114.06 4.47 15.68 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.555 0.742 . . . . 0.0 110.938 177.527 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 50.8 m -138.78 3.34 2.25 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 123.238 0.615 . . . . 0.0 111.752 -179.285 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.42 HD21 ' HB2' ' A' ' 439' ' ' SER . 25.1 tp -145.96 157.57 43.88 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.427 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 42.2 t -60.18 145.9 45.38 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.568 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -97.09 -12.68 22.88 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -171.383 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 45.2 mm -108.16 -27.15 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 118.326 0.512 . . . . 0.0 111.159 -176.678 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 10.7 p -136.01 -18.38 1.58 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 118.888 -0.577 . . . . 0.0 112.459 -176.324 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 439' ' ' SER . . . . . 0.42 ' HB2' HD21 ' A' ' 434' ' ' LEU . 5.9 p 43.25 27.87 0.14 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.495 1.118 . . . . 0.0 113.434 179.27 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 58.9 m -93.94 -10.83 32.45 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.255 0.622 . . . . 0.0 110.224 179.374 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -139.34 160.83 60.37 Favored Pre-proline 0 N--CA 1.448 -0.575 0 C-N-CA 123.467 0.707 . . . . 0.0 109.423 -177.636 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -59.68 -2.85 1.69 Allowed 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 124.827 3.684 . . . . 0.0 115.329 -172.831 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 67.69 58.11 8.1 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.436 -1.065 . . . . 0.0 110.436 -176.668 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -72.56 -8.02 21.84 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 124.099 3.199 . . . . 0.0 112.312 -173.428 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -125.41 162.25 25.24 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.849 0.357 . . . . 0.0 111.659 -177.589 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -147.29 146.54 29.77 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.129 0.972 . . . . 0.0 108.913 177.916 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 5.1 t -113.03 158.05 20.78 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 122.498 0.319 . . . . 0.0 111.009 -177.799 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -129.96 61.11 1.58 Allowed 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 122.958 0.503 . . . . 0.0 111.595 -172.081 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -132.97 178.23 7.04 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.033 0.444 . . . . 0.0 111.271 177.145 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -82.86 -18.35 40.62 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.244 0.618 . . . . 0.0 109.921 177.156 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 20.1 m -100.89 -21.14 5.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 119.384 -0.341 . . . . 0.0 111.593 179.207 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 4.3 p -140.81 123.5 16.16 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.109 0.413 . . . . 0.0 109.919 172.817 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -149.61 32.38 0.71 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.299 0.64 . . . . 0.0 110.713 -175.348 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -123.9 179.04 4.98 Favored 'General case' 0 N--CA 1.458 -0.059 0 C-N-CA 123.87 0.868 . . . . 0.0 109.897 -178.301 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -85.1 147.87 26.42 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.147 175.638 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -145.61 173.41 12.08 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.504 0.722 . . . . 0.0 109.916 -176.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 27.7 p -126.12 176.18 7.22 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.558 1.143 . . . . 0.0 108.296 174.593 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -58.85 -31.83 68.88 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 121.82 -0.55 . . . . 0.0 111.721 -172.328 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 19.5 t -72.61 -51.02 21.44 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 122.355 -0.215 . . . . 0.0 111.316 -174.744 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 7.7 p -84.18 -17.61 39.4 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 119.676 -0.202 . . . . 0.0 111.451 -177.193 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 49.5 t-105 -63.29 -38.45 91.21 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 171.751 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -74.96 -26.66 59.76 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.013 177.049 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -69.16 -16.84 63.73 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.817 0.735 . . . . 0.0 111.504 176.806 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 27.6 mmt85 -115.19 -6.13 12.43 Favored 'General case' 0 C--N 1.34 0.168 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -135.2 11.65 3.55 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -175.665 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 73.8 p -75.0 -17.7 60.49 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-N 118.376 0.534 . . . . 0.0 110.96 175.547 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 21.9 ptp -83.31 151.0 25.78 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.633 0.773 . . . . 0.0 110.842 -179.683 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -76.4 -4.95 45.09 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -178.063 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -81.32 -21.99 61.45 Favored Glycine 0 C--N 1.338 0.666 0 CA-C-O 119.211 -0.772 . . . . 0.0 112.636 179.381 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 79.1 mt -127.79 15.59 6.93 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 117.911 0.856 . . . . 0.0 111.809 -177.405 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -69.3 -1.4 8.06 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -178.611 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 -88.85 -6.02 57.63 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.171 0.588 . . . . 0.0 112.011 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -74.57 158.78 33.11 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.185 0.517 . . . . 0.0 110.96 178.612 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 61.2 p -141.83 140.12 19.42 Favored Pre-proline 0 N--CA 1.453 -0.287 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 175.526 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -74.79 142.59 28.77 Favored 'Trans proline' 0 N--CA 1.45 -1.079 0 C-N-CA 123.034 2.489 . . . . 0.0 111.795 -175.115 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 10.6 mp -107.72 155.92 19.66 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 173.045 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 27.4 ttt -110.64 -14.37 14.06 Favored 'General case' 0 C--O 1.231 0.085 0 C-N-CA 122.368 0.267 . . . . 0.0 111.498 -178.598 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -159.87 148.29 17.27 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 122.575 0.35 . . . . 0.0 110.25 -178.482 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -118.68 158.79 24.83 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.538 0.735 . . . . 0.0 109.815 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -141.25 162.6 35.1 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.952 0.501 . . . . 0.0 110.366 -179.295 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -139.97 166.88 23.46 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.545 0.738 . . . . 0.0 109.849 -179.567 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -69.87 153.44 43.29 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.626 0.371 . . . . 0.0 110.156 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -81.7 -8.16 59.67 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.208 0.603 . . . . 0.0 110.978 -178.195 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -141.52 170.52 15.56 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.004 0.922 . . . . 0.0 109.363 -179.762 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 49.9 m -63.57 153.24 36.39 Favored 'General case' 0 C--O 1.231 0.085 0 C-N-CA 122.496 0.318 . . . . 0.0 111.247 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 C--O 1.249 1.078 0 C-N-CA 124.087 0.955 . . . . 0.0 111.487 -178.297 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 38.7 pt . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 120.342 0.115 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -140.69 153.53 68.03 Favored Pre-proline 0 N--CA 1.456 -0.137 0 C-N-CA 123.241 0.616 . . . . 0.0 109.952 -179.061 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -71.15 166.09 30.32 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.804 3.003 . . . . 0.0 110.944 178.372 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -138.59 10.51 2.69 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 123.146 0.578 . . . . 0.0 111.198 -179.122 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 95.8 mt -129.53 161.84 29.54 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.759 0.823 . . . . 0.0 110.122 -178.469 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -81.7 161.98 23.17 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 122.854 0.462 . . . . 0.0 111.106 -177.905 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -80.26 5.97 13.19 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 122.918 0.487 . . . . 0.0 111.364 179.239 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 77.8 p -118.93 18.58 13.22 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.22 1.008 . . . . 0.0 111.123 -179.259 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 439' ' ' SER . 16.8 tp -141.51 154.65 45.63 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.813 0.845 . . . . 0.0 108.831 -179.747 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 38.4 t -63.13 149.51 45.05 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.652 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -101.71 -15.24 17.06 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -172.91 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 46.0 mm -99.52 -26.76 3.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 CA-C-N 118.329 0.513 . . . . 0.0 110.978 -178.02 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 7.9 p -141.42 -14.53 0.86 Allowed 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -176.069 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 439' ' ' SER . . . . . 0.484 ' HB2' HD21 ' A' ' 434' ' ' LEU . 3.9 p 44.97 28.11 0.34 Allowed 'General case' 0 C--N 1.342 0.262 0 C-N-CA 124.211 1.004 . . . . 0.0 113.652 179.002 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 23.0 t -85.94 -21.01 28.12 Favored 'General case' 0 CA--C 1.527 0.064 0 O-C-N 121.773 -0.579 . . . . 0.0 111.189 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -130.6 163.01 51.4 Favored Pre-proline 0 N--CA 1.453 -0.298 0 C-N-CA 123.575 0.75 . . . . 0.0 109.832 -179.016 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -61.51 15.56 0.05 OUTLIER 'Trans proline' 0 CA--C 1.536 0.59 1 C-N-CA 125.637 4.225 . . . . 0.0 115.237 -178.629 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 60.48 58.7 12.57 Favored Glycine 0 C--N 1.337 0.626 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 -177.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -70.44 -8.75 24.35 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 123.998 3.132 . . . . 0.0 112.03 -173.774 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -130.17 157.8 41.44 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.295 0.569 . . . . 0.0 111.385 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -146.86 155.71 42.54 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.66 1.184 . . . . 0.0 107.951 176.342 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 6.4 t -127.29 147.38 50.24 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -124.64 71.91 1.18 Allowed 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.2 0.6 . . . . 0.0 110.026 -177.577 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -130.21 178.08 6.84 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.754 179.286 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 10.2 pm0 -86.97 2.27 50.02 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 122.668 0.387 . . . . 0.0 111.54 177.596 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 32.8 m -120.48 -21.36 4.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-N 118.089 0.404 . . . . 0.0 111.496 175.309 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 8.2 p -140.07 136.56 33.76 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.311 0.505 . . . . 0.0 110.335 174.231 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -151.01 35.1 0.59 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.382 -175.852 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -130.91 176.55 8.14 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 122.993 0.517 . . . . 0.0 110.782 -175.384 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -85.95 149.59 25.09 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.796 178.037 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -147.49 174.33 11.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.771 0.828 . . . . 0.0 109.973 -178.168 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 27.1 p -127.6 177.05 7.04 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.929 1.292 . . . . 0.0 108.167 175.267 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -58.84 -31.44 68.5 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.904 -0.497 . . . . 0.0 111.358 -174.289 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 57.9 m -72.08 -55.18 7.79 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 117.601 0.182 . . . . 0.0 111.472 -176.891 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 460' ' ' CYS . . . . . 0.4 ' HA ' ' CD2' ' A' ' 463' ' ' TRP . 13.9 p -81.75 -19.74 40.74 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 -174.89 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -61.41 -45.46 94.22 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 171.9 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -75.78 -15.06 60.31 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 119.408 -0.33 . . . . 0.0 111.736 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 463' ' ' TRP . . . . . 0.4 ' CD2' ' HA ' ' A' ' 460' ' ' CYS . 53.7 m0 -73.14 -23.07 60.42 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.812 0.733 . . . . 0.0 111.321 175.41 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -121.63 -21.0 6.32 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -179.767 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -100.79 10.79 40.7 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.871 0.759 . . . . 0.0 112.479 -178.192 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 16.8 t -100.34 10.81 40.68 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 122.658 0.383 . . . . 0.0 111.118 178.016 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.4 ptp -115.2 159.89 20.39 Favored 'General case' 0 C--O 1.227 -0.089 0 C-N-CA 123.321 0.648 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -60.55 -18.65 53.83 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.406 0.682 . . . . 0.0 112.378 -174.293 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -82.89 -14.94 74.05 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 119.026 -0.875 . . . . 0.0 113.797 -177.085 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.1 mp -142.11 5.96 1.72 Allowed 'General case' 0 C--N 1.342 0.241 0 CA-C-N 118.798 1.299 . . . . 0.0 113.474 -178.321 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -67.3 -3.35 7.77 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 119.064 0.847 . . . . 0.0 112.59 -177.537 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -97.57 -0.67 45.42 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.973 0.909 . . . . 0.0 111.971 -178.467 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -77.47 167.31 21.86 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 121.054 0.454 . . . . 0.0 110.908 -179.549 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 49.1 m -135.07 146.95 60.54 Favored Pre-proline 0 N--CA 1.455 -0.179 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 177.206 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -69.31 157.66 60.44 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.468 2.779 . . . . 0.0 111.653 -177.261 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 15.2 tp -142.62 157.11 45.03 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.533 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 89.4 mtp -137.25 160.44 39.01 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 121.126 0.488 . . . . 0.0 111.109 -176.813 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -76.38 160.95 29.1 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.773 0.829 . . . . 0.0 110.679 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -77.74 160.8 28.17 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.107 179.308 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -80.39 -4.48 53.78 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.541 0.336 . . . . 0.0 111.865 -177.493 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -138.4 163.44 31.88 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 123.372 0.669 . . . . 0.0 110.542 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -114.31 172.33 7.08 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.857 0.863 . . . . 0.0 109.843 -179.485 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -73.56 4.92 4.29 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.082 0.553 . . . . 0.0 111.978 -179.223 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -123.84 5.49 8.74 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.928 0.891 . . . . 0.0 110.607 179.076 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 49.0 m -83.36 -0.6 50.52 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.878 0.471 . . . . 0.0 111.917 -179.504 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 55.5 m . . . . . 0 C--O 1.252 1.206 0 CA-C-O 117.242 -1.361 . . . . 0.0 110.384 -179.024 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 37.9 pt . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 110.707 -0.109 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -140.21 159.04 65.44 Favored Pre-proline 0 CA--C 1.529 0.163 0 C-N-CA 123.371 0.669 . . . . 0.0 110.552 -178.682 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -56.19 155.82 22.96 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.698 2.932 . . . . 0.0 112.692 178.6 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -149.89 168.87 22.53 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.793 0.837 . . . . 0.0 110.254 179.344 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 95.9 mt -131.8 165.75 23.1 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.999 0.92 . . . . 0.0 109.732 179.812 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -127.69 13.77 6.95 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.345 0.658 . . . . 0.0 111.063 -178.467 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 54.41 22.14 3.64 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.252 1.021 . . . . 0.0 112.811 -178.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 87.4 p -123.94 7.25 8.65 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 123.699 0.8 . . . . 0.0 111.365 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.452 ' HB3' ' HA ' ' A' ' 439' ' ' SER . 2.6 mm? -82.67 176.27 9.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.196 0.598 . . . . 0.0 110.485 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 23.1 t -53.05 136.24 35.74 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 169.609 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -69.37 -13.02 62.15 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -173.417 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 40.1 mm -123.24 -27.68 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 118.099 0.409 . . . . 0.0 111.431 -176.145 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.9 m -103.56 -22.04 13.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -172.888 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 439' ' ' SER . . . . . 0.452 ' HA ' ' HB3' ' A' ' 434' ' ' LEU . 20.9 p 35.27 51.59 0.61 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.142 1.377 . . . . 0.0 113.975 177.092 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 38.4 t -133.7 -26.51 1.58 Allowed 'General case' 0 CA--C 1.525 -0.019 0 C-N-CA 122.288 0.235 . . . . 0.0 111.523 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -137.2 161.65 59.92 Favored Pre-proline 0 N--CA 1.451 -0.417 0 C-N-CA 123.995 0.918 . . . . 0.0 108.672 -178.329 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -61.78 -7.43 9.29 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 124.078 3.186 . . . . 0.0 113.04 179.255 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 78.07 120.7 0.24 Allowed Glycine 0 CA--C 1.529 0.907 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -176.909 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -75.32 -10.59 20.77 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.461 2.774 . . . . 0.0 111.677 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -136.56 163.68 29.97 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-O 121.392 0.615 . . . . 0.0 111.53 -178.197 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -137.24 151.45 48.73 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.475 1.11 . . . . 0.0 108.409 176.513 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 447' ' ' CYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 14.0 t -123.5 130.84 53.28 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -179.083 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -129.71 89.72 2.87 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.546 0.738 . . . . 0.0 110.173 -173.779 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -136.75 -172.57 3.2 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.041 177.003 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -69.9 -12.31 61.52 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 122.663 0.385 . . . . 0.0 110.259 177.295 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 28.3 m -127.49 -11.88 3.79 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 123.008 0.523 . . . . 0.0 112.052 179.093 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 452' ' ' CYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 96.7 m -111.17 135.99 50.88 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.332 0.515 . . . . 0.0 110.499 178.294 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -157.95 24.54 0.26 Allowed 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 111.537 0.199 . . . . 0.0 111.537 179.611 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -137.89 171.76 13.95 Favored 'General case' 0 C--O 1.228 -0.037 0 O-C-N 121.824 -0.547 . . . . 0.0 111.521 -174.721 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -81.44 152.09 27.57 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.214 0.606 . . . . 0.0 111.053 178.947 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -149.63 176.08 10.98 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 123.892 0.877 . . . . 0.0 109.819 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 23.1 p -131.05 174.24 10.21 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.443 1.097 . . . . 0.0 108.825 175.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -57.79 -37.56 73.94 Favored 'General case' 0 N--CA 1.461 0.081 0 O-C-N 122.088 -0.383 . . . . 0.0 111.976 -172.319 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 74.8 m -66.91 -49.69 64.79 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -176.475 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 25.3 p -87.57 -15.68 36.73 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -175.554 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -61.4 -41.21 96.77 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 171.827 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -74.96 -29.51 60.94 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.826 177.828 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -69.1 -10.1 55.94 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.624 -0.673 . . . . 0.0 111.177 176.502 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -122.44 -4.82 8.8 Favored 'General case' 0 C--N 1.34 0.169 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 179.218 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -141.29 2.93 1.71 Allowed 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -175.26 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 47.6 t -72.95 -23.88 60.73 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 118.769 0.713 . . . . 0.0 111.482 -178.627 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.88 158.08 18.8 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.964 0.412 . . . . 0.0 110.311 178.826 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.98 -2.01 13.93 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -176.391 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -73.98 -27.94 65.59 Favored Glycine 0 CA--C 1.524 0.632 0 CA-C-O 119.05 -0.861 . . . . 0.0 112.28 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 91.6 mt -137.24 22.13 2.99 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 118.278 1.039 . . . . 0.0 111.542 -178.573 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -68.72 -1.84 7.89 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -177.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 53.9 p-80 -87.52 -3.98 58.99 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.23 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -77.33 156.06 31.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.968 0.349 . . . . 0.0 110.778 178.367 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 474' ' ' SER . . . . . 0.422 ' HA ' ' HD3' ' A' ' 475' ' ' PRO . 65.8 m -137.6 141.63 34.04 Favored Pre-proline 0 N--CA 1.456 -0.162 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 176.409 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 475' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 474' ' ' SER . 32.9 Cg_exo -62.62 142.59 90.3 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 123.065 2.51 . . . . 0.0 113.204 -177.035 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -114.85 160.5 19.4 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 169.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 91.6 mtp -138.73 152.3 47.85 Favored 'General case' 0 C--O 1.23 0.075 0 C-N-CA 122.511 0.324 . . . . 0.0 110.451 179.761 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 55.6 ttt-85 -151.4 155.39 38.54 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 123.52 0.728 . . . . 0.0 109.368 -179.408 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -86.48 23.16 1.68 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.074 0.55 . . . . 0.0 111.555 -179.284 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 50.27 15.94 0.23 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.78 1.632 . . . . 0.0 113.801 -173.798 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -154.33 167.97 28.19 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.937 0.895 . . . . 0.0 109.615 175.487 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -85.56 154.62 21.61 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.557 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -92.46 3.92 54.51 Favored 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 122.827 0.451 . . . . 0.0 111.707 -177.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -86.28 -3.84 59.06 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.025 0.53 . . . . 0.0 110.904 177.716 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 69.2 m -139.4 164.54 29.58 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 123.57 0.748 . . . . 0.0 110.483 -178.886 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 C--O 1.252 1.202 0 CA-C-O 117.337 -1.316 . . . . 0.0 110.938 179.475 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 40.3 pt . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 120.335 0.112 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -147.25 138.54 13.23 Favored Pre-proline 0 CA--C 1.534 0.339 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.798 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.59 -7.24 19.96 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 123.516 2.81 . . . . 0.0 112.64 -177.282 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 32.3 t80 56.72 19.96 4.74 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.339 1.056 . . . . 0.0 113.379 -179.4 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 96.9 mt -86.12 159.1 19.63 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.969 -0.457 . . . . 0.0 110.646 177.306 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -150.28 155.48 39.77 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.298 0.639 . . . . 0.0 109.465 179.628 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -146.28 156.75 43.59 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.51 0.324 . . . . 0.0 110.809 -179.434 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.8 t -148.22 1.24 0.63 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.524 0.73 . . . . 0.0 111.154 -179.385 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' A' ' 439' ' ' SER . 32.4 tp -69.07 155.94 39.51 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.12 0.568 . . . . 0.0 109.826 -178.955 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 37.8 t -58.14 143.38 44.14 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.226 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -106.48 2.81 26.57 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -174.856 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 51.8 mm -109.68 -25.73 3.48 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-N 117.957 0.344 . . . . 0.0 110.38 178.599 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 7.8 p -145.3 -20.47 0.48 Allowed 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -177.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 439' ' ' SER . . . . . 0.459 ' HB2' HD21 ' A' ' 434' ' ' LEU . 6.8 p 46.25 25.95 0.41 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 65.0 m -95.37 -7.76 37.58 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 122.037 -0.414 . . . . 0.0 111.626 -179.174 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -134.18 160.87 66.85 Favored Pre-proline 0 N--CA 1.454 -0.267 0 C-N-CA 124.178 0.991 . . . . 0.0 108.469 177.045 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -59.35 1.5 0.35 Allowed 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 124.915 3.743 . . . . 0.0 115.354 -173.308 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 66.84 56.85 11.07 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 -177.308 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -72.36 -8.7 23.13 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 124.005 3.136 . . . . 0.0 112.076 -173.567 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -127.47 155.07 44.29 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.046 0.45 . . . . 0.0 111.927 -177.708 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -148.22 151.48 35.56 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.995 0.918 . . . . 0.0 108.81 176.758 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 6.9 t -129.56 156.34 44.33 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.523 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 17.9 ptm180 -114.96 5.23 14.98 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -169.514 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -86.96 159.19 19.09 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 118.427 0.558 . . . . 0.0 111.205 178.85 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -71.31 -4.94 28.74 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.838 0.455 . . . . 0.0 111.865 -175.575 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 35.5 m -106.11 -5.65 10.03 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 C-N-CA 122.821 0.448 . . . . 0.0 111.644 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 6.9 p -153.44 42.51 0.57 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.914 0.486 . . . . 0.0 110.548 178.585 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -71.48 31.0 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.478 1.111 . . . . 0.0 113.171 -177.768 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -128.5 177.62 6.87 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.595 0.758 . . . . 0.0 111.296 -174.367 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -88.44 151.33 22.63 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.724 0.41 . . . . 0.0 110.437 175.878 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -146.4 172.92 12.78 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.488 0.661 . . . . 0.0 110.763 -177.134 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 13.6 p -131.03 179.07 6.22 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.216 1.406 . . . . 0.0 107.598 174.165 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -57.91 -34.15 69.52 Favored 'General case' 0 CA--C 1.529 0.136 0 O-C-N 121.631 -0.668 . . . . 0.0 112.029 -171.608 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 69.6 m -71.81 -46.87 56.71 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -175.702 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 460' ' ' CYS . . . . . 0.529 ' HA ' ' HB3' ' A' ' 463' ' ' TRP . 8.3 p -90.56 -16.69 28.32 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 122.225 0.21 . . . . 0.0 111.561 -175.529 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -67.21 -46.66 73.2 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 173.333 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -72.53 -25.63 61.45 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.21 178.797 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 463' ' ' TRP . . . . . 0.529 ' HB3' ' HA ' ' A' ' 460' ' ' CYS . 72.7 t90 -67.84 -19.2 65.02 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 122.251 -0.281 . . . . 0.0 111.002 176.186 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.1 tpp85 -112.96 -21.31 11.18 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -120.02 1.77 10.92 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -173.533 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 466' ' ' SER . . . . . 0.454 ' HA ' ' HE ' ' A' ' 471' ' ' ARG . 8.2 t -100.11 7.65 44.46 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.964 0.802 . . . . 0.0 111.975 179.518 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 23.1 ptp -87.33 17.46 4.4 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 122.986 0.514 . . . . 0.0 111.66 178.813 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 61.66 -8.49 0.09 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.895 1.678 . . . . 0.0 113.97 179.783 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -84.22 -22.81 53.68 Favored Glycine 0 CA--C 1.523 0.568 0 CA-C-O 119.252 -0.749 . . . . 0.0 112.658 -179.027 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 78.5 mt -126.27 22.31 7.19 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 118.057 0.928 . . . . 0.0 111.691 -177.026 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 471' ' ' ARG . . . . . 0.454 ' HE ' ' HA ' ' A' ' 466' ' ' SER . 21.8 mmt85 -67.38 -2.03 5.61 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 121.844 -0.535 . . . . 0.0 112.396 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -89.93 -3.69 57.9 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.006 0.522 . . . . 0.0 111.758 177.839 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 43.1 m170 -79.39 165.23 23.33 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.769 0.427 . . . . 0.0 110.63 177.624 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 40.8 t -141.16 137.63 17.0 Favored Pre-proline 0 N--CA 1.453 -0.29 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 175.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -73.35 141.67 32.29 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 122.996 2.464 . . . . 0.0 111.899 -176.897 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 10.7 mp -104.5 161.88 13.72 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.908 0.883 . . . . 0.0 109.062 174.611 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 477' ' ' MET . . . . . 0.401 ' C ' ' HD2' ' A' ' 478' ' ' ARG . 27.2 ptt? -145.29 172.0 13.77 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 122.784 0.434 . . . . 0.0 110.232 -179.439 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 478' ' ' ARG . . . . . 0.401 ' HD2' ' C ' ' A' ' 477' ' ' MET . 2.9 mpt_? -128.81 158.92 37.33 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.291 0.636 . . . . 0.0 109.889 179.797 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -140.47 13.07 2.35 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 123.336 0.654 . . . . 0.0 111.686 -179.316 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -86.26 1.1 52.12 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.896 0.478 . . . . 0.0 111.56 -178.851 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -145.28 150.53 36.82 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.186 0.594 . . . . 0.0 109.654 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -147.24 159.84 43.18 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.88 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -78.69 160.79 27.31 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.035 0.534 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -138.89 7.14 2.47 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 122.985 0.514 . . . . 0.0 111.789 -179.287 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 58.4 m -141.12 159.42 42.24 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 123.191 0.596 . . . . 0.0 110.682 -179.486 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 79.9 p . . . . . 0 C--O 1.249 1.031 0 CA-C-O 117.084 -1.436 . . . . 0.0 110.873 179.333 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 37.1 pt . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.744 0.307 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -76.68 152.39 83.04 Favored Pre-proline 0 C--O 1.235 0.291 0 C-N-CA 122.333 0.253 . . . . 0.0 110.668 179.452 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -71.61 164.48 35.58 Favored 'Trans proline' 0 N--CA 1.449 -1.088 0 C-N-CA 123.761 2.974 . . . . 0.0 111.651 179.558 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -83.1 -10.07 58.88 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 122.494 0.317 . . . . 0.0 111.2 -179.191 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -150.57 166.7 29.45 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.208 0.603 . . . . 0.0 111.08 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -138.29 161.06 37.88 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.015 0.526 . . . . 0.0 109.951 -179.69 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 39.3 t70 -78.38 -1.87 35.49 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.626 0.37 . . . . 0.0 111.497 -179.11 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 38.2 m -125.3 15.52 8.34 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.589 0.756 . . . . 0.0 110.966 179.344 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 439' ' ' SER . 29.1 tp -65.73 152.87 43.28 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.793 0.837 . . . . 0.0 109.707 -179.442 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 38.5 t -55.76 140.77 40.81 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 176.908 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -99.87 -9.8 22.47 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -172.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 38.8 mm -100.08 -25.79 3.81 Favored 'Isoleucine or valine' 0 C--O 1.23 0.057 0 CA-C-N 117.958 0.344 . . . . 0.0 110.887 -178.087 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 12.4 p -144.18 -18.08 0.57 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -176.362 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 439' ' ' SER . . . . . 0.422 ' HB2' HD21 ' A' ' 434' ' ' LEU . 7.3 p 43.97 27.18 0.17 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.586 1.154 . . . . 0.0 113.588 178.748 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 68.7 m -96.72 -6.33 36.62 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.866 0.466 . . . . 0.0 112.002 -178.483 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -135.97 159.51 70.84 Favored Pre-proline 0 N--CA 1.454 -0.228 0 C-N-CA 124.32 1.048 . . . . 0.0 108.678 176.26 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -60.87 3.55 0.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 125.085 3.856 . . . . 0.0 115.247 -173.532 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 69.38 58.81 6.21 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.026 -1.229 . . . . 0.0 110.026 -176.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -70.54 -8.88 24.63 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 123.853 3.036 . . . . 0.0 112.246 -174.307 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -133.45 159.29 40.78 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.128 0.49 . . . . 0.0 112.048 -179.19 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -140.25 157.13 46.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.53 1.132 . . . . 0.0 108.207 173.49 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 447' ' ' CYS . . . . . 0.444 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 21.5 t -136.73 133.39 36.02 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -178.728 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -125.82 87.56 2.71 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.684 0.794 . . . . 0.0 109.799 -174.905 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -136.14 -179.42 5.66 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.201 178.859 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -70.87 -2.72 15.9 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 122.235 -0.291 . . . . 0.0 111.338 176.239 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 17.1 m -134.45 -2.45 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 123.994 0.918 . . . . 0.0 111.465 176.072 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 452' ' ' CYS . . . . . 0.444 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 89.3 m -121.6 135.02 55.01 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 118.264 0.484 . . . . 0.0 110.838 177.574 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 453' ' ' PHE . . . . . 0.432 ' CZ ' ' HE3' ' A' ' 454' ' ' LYS . 39.9 p90 -158.26 25.42 0.25 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.498 0.319 . . . . 0.0 111.069 179.281 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 454' ' ' LYS . . . . . 0.432 ' HE3' ' CZ ' ' A' ' 453' ' ' PHE . 98.0 mttt -133.37 167.61 20.11 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 122.8 0.44 . . . . 0.0 112.081 -172.144 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -85.91 150.58 24.41 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.623 172.629 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -147.67 172.07 14.64 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.205 0.602 . . . . 0.0 110.713 -177.474 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 20.8 p -128.0 173.49 10.0 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.96 1.304 . . . . 0.0 107.698 173.451 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 53.4 ptt85 -60.01 -27.04 66.55 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.5 -0.75 . . . . 0.0 112.347 -171.692 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 19.4 t -74.95 -52.57 10.84 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 117.852 0.297 . . . . 0.0 111.006 -175.587 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 14.1 p -82.0 -17.28 47.43 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 122.267 0.227 . . . . 0.0 111.236 -178.734 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -62.69 -42.04 99.43 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 172.332 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -73.11 -24.45 60.63 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.996 178.32 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.0 m0 -72.44 -14.72 61.76 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.616 0.643 . . . . 0.0 111.478 175.594 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -123.77 -4.97 8.09 Favored 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -176.253 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -133.08 6.9 3.94 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -176.504 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 56.0 m -101.1 7.19 43.4 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-N 118.15 0.432 . . . . 0.0 111.147 175.304 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.5 ptp -103.39 158.14 16.55 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.084 0.553 . . . . 0.0 110.16 177.513 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -64.86 -11.33 36.26 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -174.01 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -87.71 -16.34 60.11 Favored Glycine 0 CA--C 1.528 0.858 0 CA-C-O 118.898 -0.946 . . . . 0.0 113.311 -178.043 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 4.3 mp -142.16 15.55 2.06 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.681 1.241 . . . . 0.0 112.646 -177.447 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 16.02 0.09 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -177.328 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -124.11 4.43 8.58 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.87 0.868 . . . . 0.0 112.077 -174.447 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -82.28 166.21 19.73 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 121.259 0.552 . . . . 0.0 111.311 179.782 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 77.7 p -140.2 152.27 66.74 Favored Pre-proline 0 C--O 1.233 0.222 0 C-N-CA 124.158 0.983 . . . . 0.0 109.25 177.564 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -64.71 148.17 90.11 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 123.392 2.728 . . . . 0.0 111.132 -176.469 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 52.7 tp -145.66 154.26 41.92 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.958 0.903 . . . . 0.0 109.166 -177.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 44.1 tpp -153.6 -23.94 0.14 Allowed 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 122.252 0.221 . . . . 0.0 111.487 176.619 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 64.2 ttm-85 -157.15 153.74 28.19 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -178.769 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -145.61 159.74 42.69 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.309 0.644 . . . . 0.0 109.335 179.565 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -148.27 160.83 42.56 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 122.929 0.492 . . . . 0.0 110.877 -178.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -135.51 148.55 49.22 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.284 0.633 . . . . 0.0 109.839 177.843 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -152.83 167.11 30.15 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 122.804 0.441 . . . . 0.0 110.506 -178.732 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 22.0 tpp85 -148.27 148.4 30.41 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.78 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -140.47 7.44 2.15 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 122.975 0.51 . . . . 0.0 111.194 -179.283 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 22.2 m -82.31 -1.84 50.87 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 122.776 0.43 . . . . 0.0 111.84 -178.688 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 77.6 p . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.9 179.544 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 13.4 tp . . . . . 0 N--CA 1.448 -0.566 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.453 ' CB ' ' SG ' ' A' ' 438' ' ' CYS . 73.4 m -56.39 137.53 52.63 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 171.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -93.57 2.01 56.52 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 15.6 mm -120.61 -35.63 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-O 119.528 -0.272 . . . . 0.0 111.088 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.453 ' SG ' ' CB ' ' A' ' 435' ' ' CYS . 31.0 p -115.26 -24.47 8.45 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 12.9 p 39.89 33.8 0.15 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.813 1.245 . . . . 0.0 113.216 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 69.9 m -115.92 -3.47 12.15 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.931 0.492 . . . . 0.0 111.769 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -134.76 158.02 75.92 Favored Pre-proline 0 N--CA 1.453 -0.291 0 C-N-CA 123.412 0.685 . . . . 0.0 109.49 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -61.83 -2.17 2.64 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 124.71 3.607 . . . . 0.0 114.52 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 66.51 60.07 6.6 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 109.962 -1.255 . . . . 0.0 109.962 -174.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -72.76 -8.46 22.44 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 124.136 3.224 . . . . 0.0 112.299 -173.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -129.55 163.37 26.12 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.785 0.434 . . . . 0.0 111.059 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -141.26 147.4 38.19 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.23 0.612 . . . . 0.0 109.564 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 17.4 t -111.33 128.43 55.95 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -90.17 -11.88 39.83 Favored 'General case' 0 CA--C 1.527 0.066 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -170.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.7 154.27 40.78 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.95 -0.468 . . . . 0.0 111.023 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -72.71 -9.38 58.57 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.923 0.489 . . . . 0.0 112.142 -173.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 23.3 m -99.0 -4.28 9.46 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 C-N-CA 122.337 0.255 . . . . 0.0 111.222 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 62.9 m -118.13 -67.07 1.02 Allowed 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 20.4 t80 45.57 31.32 0.91 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.633 1.573 . . . . 0.0 114.637 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -141.71 169.82 16.88 Favored 'General case' 0 C--O 1.231 0.12 0 O-C-N 121.909 -0.494 . . . . 0.0 111.443 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -83.09 147.97 27.79 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -149.12 168.66 22.59 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.369 0.604 . . . . 0.0 110.879 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 28.7 p -122.18 -178.26 3.82 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 172.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -59.35 -28.94 67.3 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.528 0.604 . . . . 0.0 111.089 -176.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 71.3 m -76.17 -56.54 4.55 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 122.756 0.423 . . . . 0.0 111.556 -177.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 7.7 p -79.15 -13.94 59.41 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 -175.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -69.31 -43.0 74.67 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 169.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -70.33 -17.22 63.06 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.93 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 54.7 m0 -83.74 -23.87 31.41 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.566 0.621 . . . . 0.0 112.117 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -97.41 -5.19 36.81 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.607 0.639 . . . . 0.0 111.709 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -130.83 21.71 4.99 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 117.756 0.253 . . . . 0.0 111.002 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 37.0 t -65.7 -33.88 76.9 Favored 'General case' 0 C--N 1.338 0.084 0 C-N-CA 123.082 0.553 . . . . 0.0 111.171 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 18.3 ptt? -88.45 159.33 18.03 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.944 0.498 . . . . 0.0 110.988 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -72.13 -14.5 61.85 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.1 0.56 . . . . 0.0 111.465 -175.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -72.96 -18.24 78.97 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 118.968 -0.907 . . . . 0.0 114.034 -174.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 64.7 mt -122.87 19.42 10.14 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-N 118.571 1.185 . . . . 0.0 112.431 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 29.3 mmt85 -72.4 -2.4 19.21 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 122.075 -0.39 . . . . 0.0 111.81 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -87.87 -4.01 58.89 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.964 0.506 . . . . 0.0 111.52 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -75.77 157.73 33.12 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 70.0 m -137.45 137.42 22.18 Favored Pre-proline 0 N--CA 1.455 -0.183 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -75.39 140.59 24.59 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 123.025 2.484 . . . . 0.0 111.03 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 10.6 mp . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 173.047 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 9.6 tp . . . . . 0 N--CA 1.446 -0.627 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.512 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 37.0 t -56.77 128.4 36.37 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 175.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -82.89 -0.39 48.08 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -174.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 37.1 mm -121.81 -25.02 2.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 118.014 0.37 . . . . 0.0 110.581 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.435 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 12.2 m -119.26 -29.38 5.2 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 122.349 0.26 . . . . 0.0 111.286 -174.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 15.0 p 39.65 35.43 0.2 Allowed 'General case' 0 C--N 1.34 0.184 0 C-N-CA 124.692 1.197 . . . . 0.0 113.077 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 72.3 m -123.02 -2.88 8.62 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.339 0.656 . . . . 0.0 111.192 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -134.0 158.04 76.29 Favored Pre-proline 0 N--CA 1.455 -0.178 0 C-N-CA 123.906 0.882 . . . . 0.0 109.321 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -63.82 5.39 0.37 Allowed 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 125.004 3.803 . . . . 0.0 114.504 -176.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 68.51 63.02 3.74 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 -175.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.58 -9.61 26.58 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 123.921 3.081 . . . . 0.0 111.986 -174.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -132.64 157.41 44.88 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 110.964 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -139.23 154.08 47.94 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.131 0.972 . . . . 0.0 108.545 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' CYS . . . . . 0.468 ' HG ' ' CB ' ' A' ' 452' ' ' CYS . 29.9 t -131.75 133.18 44.51 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -126.57 82.99 2.12 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.594 0.758 . . . . 0.0 109.923 -173.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -132.73 -179.71 5.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.034 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -73.29 -1.72 19.08 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.305 -0.247 . . . . 0.0 111.318 176.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 33.7 m -134.81 -2.96 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 C-N-CA 123.052 0.541 . . . . 0.0 111.755 174.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' CYS . . . . . 0.468 ' CB ' ' HG ' ' A' ' 447' ' ' CYS . 84.1 m -120.95 133.64 55.28 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.189 0.449 . . . . 0.0 110.279 176.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -157.14 27.82 0.3 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.275 0.23 . . . . 0.0 111.225 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -133.79 167.3 20.8 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 122.917 0.487 . . . . 0.0 111.703 -174.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -88.24 150.76 23.09 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.859 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -147.31 170.64 16.89 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.286 0.634 . . . . 0.0 110.578 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . 0.435 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 26.4 p -116.02 176.54 5.05 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.805 1.242 . . . . 0.0 108.117 174.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -60.06 -35.37 74.98 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 121.556 -0.715 . . . . 0.0 111.574 -174.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 75.6 m -67.67 -48.61 66.14 Favored 'General case' 0 N--CA 1.458 -0.061 0 C-N-CA 122.251 0.22 . . . . 0.0 111.292 -175.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' CYS . . . . . 0.512 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 24.6 p -88.48 -14.7 37.21 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 111.392 0.145 . . . . 0.0 111.392 -175.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 43.0 t-105 -62.01 -40.42 95.63 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 170.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -75.7 -27.99 58.45 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.769 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 44.9 m0 -70.25 -13.34 62.13 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 118.724 0.693 . . . . 0.0 111.33 176.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -115.99 -13.49 11.26 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 123.116 0.566 . . . . 0.0 112.007 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -134.76 1.37 3.05 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -173.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 26.8 t -80.63 -16.51 53.89 Favored 'General case' 0 CA--C 1.527 0.072 0 CA-C-N 119.224 0.92 . . . . 0.0 109.996 175.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.2 ptp -69.54 156.46 38.86 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.043 0.537 . . . . 0.0 110.217 177.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.38 -4.99 39.76 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -90.13 -29.47 14.88 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-O 118.772 -1.016 . . . . 0.0 113.445 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 66.9 mt -128.45 11.17 6.29 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 118.538 1.169 . . . . 0.0 113.074 -172.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -71.97 7.11 1.73 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -94.06 -2.45 52.88 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.544 0.738 . . . . 0.0 111.532 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 55.3 m170 -75.34 161.2 29.49 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.673 0.389 . . . . 0.0 110.544 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 55.4 m -129.67 146.67 62.16 Favored Pre-proline 0 N--CA 1.456 -0.166 0 C-N-CA 123.169 0.588 . . . . 0.0 109.637 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.7 151.1 69.31 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 123.603 2.869 . . . . 0.0 111.49 -176.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 90.9 mt . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 124.649 1.18 . . . . 0.0 109.007 179.102 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 439' ' ' SER . 2.6 mm? . . . . . 0 N--CA 1.455 -0.204 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 14.3 t -58.08 136.22 57.14 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 169.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -81.31 4.11 21.76 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -174.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 33.6 mm -123.61 -26.62 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 C-N-CA 122.922 0.489 . . . . 0.0 110.274 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 24.5 m -111.51 -27.09 8.74 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' SER . . . . . 0.45 ' HA ' ' HB3' ' A' ' 434' ' ' LEU . 20.8 p 39.95 41.89 0.97 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.556 1.142 . . . . 0.0 113.578 179.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 66.2 m -131.75 -9.9 3.53 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.134 0.574 . . . . 0.0 112.008 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -153.87 155.23 31.08 Favored Pre-proline 0 N--CA 1.455 -0.218 0 C-N-CA 123.329 0.652 . . . . 0.0 109.509 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -68.71 105.21 1.27 Allowed 'Trans proline' 0 N--CA 1.448 -1.172 0 C-N-CA 122.567 2.178 . . . . 0.0 108.633 173.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -48.97 116.96 3.72 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -178.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -79.13 -8.12 15.29 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 123.919 3.08 . . . . 0.0 111.577 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -130.53 160.27 34.62 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 121.217 0.532 . . . . 0.0 111.947 -176.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -138.36 149.28 45.43 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.593 1.157 . . . . 0.0 108.025 175.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 21.7 t -120.86 127.77 52.21 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -123.91 88.58 2.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.779 0.832 . . . . 0.0 109.684 -174.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -136.71 -172.9 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.952 0.501 . . . . 0.0 110.876 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -72.38 -10.79 60.24 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.014 -0.429 . . . . 0.0 110.397 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 33.0 m -128.12 -11.64 3.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 122.997 0.519 . . . . 0.0 112.334 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 81.6 m -110.91 134.04 52.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 118.186 0.448 . . . . 0.0 110.317 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -150.98 18.22 0.77 Allowed 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.58 169.56 16.81 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 118.949 0.795 . . . . 0.0 112.004 -170.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -85.61 149.04 25.62 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.037 0.535 . . . . 0.0 109.985 174.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -147.45 177.49 9.2 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.337 0.655 . . . . 0.0 110.944 -175.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 24.4 p -130.17 175.44 8.91 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.088 1.355 . . . . 0.0 108.2 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -59.67 -33.42 71.54 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 121.816 -0.553 . . . . 0.0 111.586 -173.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 72.9 m -67.8 -50.49 56.58 Favored 'General case' 0 C--O 1.233 0.202 0 O-C-N 122.293 -0.254 . . . . 0.0 111.181 -176.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 19.0 p -86.38 -16.75 36.35 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -175.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -63.02 -39.57 95.14 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 172.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -77.42 -24.7 50.36 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 117.926 0.33 . . . . 0.0 110.97 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 49.4 m0 -69.99 -15.37 63.02 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.865 0.757 . . . . 0.0 111.534 176.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -113.26 -28.36 7.64 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 176.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -110.37 6.28 22.19 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -172.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 40.7 t -79.04 -15.86 57.64 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.677 0.671 . . . . 0.0 110.351 174.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.5 ptp -74.45 150.85 39.74 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 176.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.29 -7.39 52.62 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -175.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -84.69 -19.22 60.26 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.08 -0.845 . . . . 0.0 113.663 -177.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 77.7 mt -125.85 21.54 7.58 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.57 1.185 . . . . 0.0 112.405 -174.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -68.6 -3.56 12.25 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.286 0.493 . . . . 0.0 112.143 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -89.79 -4.15 57.78 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.218 0.607 . . . . 0.0 112.074 -178.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -77.18 152.22 34.9 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.219 0.463 . . . . 0.0 110.422 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 54.6 m -140.6 148.45 53.24 Favored Pre-proline 0 N--CA 1.455 -0.203 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.65 154.71 24.4 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.254 2.636 . . . . 0.0 112.921 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 43.1 tp . . . . . 0 N--CA 1.454 -0.235 0 C-N-CA 124.036 0.934 . . . . 0.0 108.803 177.128 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.869 -0.049 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.501 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 34.0 t -57.75 130.51 46.74 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 173.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -83.31 5.07 24.5 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -174.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 33.0 mm -124.81 -25.74 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 123.11 0.564 . . . . 0.0 110.44 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 24.3 m -118.83 -27.48 5.8 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.657 0.383 . . . . 0.0 111.922 -172.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 16.3 p 40.5 36.54 0.37 Allowed 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.023 1.329 . . . . 0.0 114.466 176.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 74.2 m -121.81 -0.75 9.54 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 123.117 0.567 . . . . 0.0 111.735 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -146.82 154.58 47.65 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 124.491 1.117 . . . . 0.0 109.224 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -69.85 18.93 0.19 Allowed 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 124.723 3.616 . . . . 0.0 113.525 -177.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 68.04 84.35 0.12 Allowed Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -71.32 -11.06 28.15 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 123.345 2.697 . . . . 0.0 111.149 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -139.69 160.44 39.87 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.322 0.582 . . . . 0.0 111.629 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -140.99 156.78 45.98 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.379 1.071 . . . . 0.0 108.224 173.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' CYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 15.4 t -135.61 137.85 42.34 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -128.34 10.46 6.26 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -169.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.07 -179.91 2.09 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.163 0.506 . . . . 0.0 111.993 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -61.2 -13.88 21.4 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -172.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 29.9 m -124.95 0.48 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 118.59 0.632 . . . . 0.0 111.794 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' CYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 80.9 m -117.7 134.29 55.06 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.778 0.431 . . . . 0.0 110.776 -178.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -150.79 20.71 0.8 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 122.974 0.509 . . . . 0.0 111.239 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -132.74 165.51 24.37 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 122.764 0.426 . . . . 0.0 111.79 -170.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -84.14 148.29 26.86 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -145.24 174.71 10.85 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.226 0.536 . . . . 0.0 110.768 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 26.5 p -129.42 177.07 7.46 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.984 1.314 . . . . 0.0 108.496 175.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -59.58 -30.8 68.91 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.916 -0.49 . . . . 0.0 111.5 -176.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 75.7 m -69.74 -58.76 3.51 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.385 0.274 . . . . 0.0 111.35 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' CYS . . . . . 0.501 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 12.3 p -77.19 -21.59 53.72 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -174.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 23.8 t-105 -60.01 -48.19 82.74 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 172.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -77.6 -6.49 53.91 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.9 m0 -81.37 -19.31 42.95 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 118.706 -0.664 . . . . 0.0 112.086 175.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 26.0 ttp180 -128.91 -17.55 3.94 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 175.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -91.27 9.04 33.01 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.012 0.823 . . . . 0.0 111.227 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 65.6 p -85.98 -16.87 36.97 Favored 'General case' 0 C--N 1.338 0.098 0 C-N-CA 122.99 0.516 . . . . 0.0 111.802 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.6 ptp -94.26 159.52 15.09 Favored 'General case' 0 C--O 1.23 0.06 0 C-N-CA 122.892 0.477 . . . . 0.0 110.669 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -73.22 -5.88 42.23 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -174.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -79.81 -13.88 81.69 Favored Glycine 0 CA--C 1.526 0.761 0 CA-C-O 119.745 -0.475 . . . . 0.0 111.951 177.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.4 mp -137.0 11.8 3.09 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.434 0.694 . . . . 0.0 112.433 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -69.92 -4.8 22.15 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 121.51 -0.744 . . . . 0.0 112.802 -176.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -100.69 2.33 41.37 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.913 0.885 . . . . 0.0 112.065 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -75.95 161.71 28.7 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 122.617 0.367 . . . . 0.0 111.275 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 71.0 m -134.06 143.54 47.7 Favored Pre-proline 0 CA--C 1.528 0.111 0 C-N-CA 123.677 0.791 . . . . 0.0 109.186 176.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -75.13 145.57 31.16 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.216 2.611 . . . . 0.0 112.024 -176.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 N--CA 1.454 -0.239 0 C-N-CA 124.491 1.116 . . . . 0.0 108.391 173.448 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 9.6 tp . . . . . 0 N--CA 1.45 -0.472 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.459 ' CB ' ' SG ' ' A' ' 438' ' ' CYS . 36.5 m -56.88 151.52 14.39 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.981 0.419 . . . . 0.0 110.738 178.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -86.03 -19.67 29.96 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -175.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 38.6 mm -118.8 -41.88 2.4 Favored 'Isoleucine or valine' 0 C--N 1.342 0.27 0 CA-C-N 118.373 0.533 . . . . 0.0 111.51 -177.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.459 ' SG ' ' CB ' ' A' ' 435' ' ' CYS . 26.5 p -95.97 -29.37 14.19 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -176.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 5.5 p 40.49 26.95 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.321 1.448 . . . . 0.0 113.845 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 64.4 m -89.0 -11.07 45.31 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.648 0.379 . . . . 0.0 111.61 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -155.51 159.91 31.28 Favored Pre-proline 0 N--CA 1.454 -0.273 0 C-N-CA 122.665 0.386 . . . . 0.0 110.284 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -69.37 105.19 1.38 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 122.442 2.095 . . . . 0.0 107.156 169.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -55.16 125.39 35.8 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 -174.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -75.97 -8.59 19.04 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.906 3.071 . . . . 0.0 111.694 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -122.77 159.16 28.62 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 121.197 0.522 . . . . 0.0 111.733 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -145.12 159.78 42.45 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.386 1.074 . . . . 0.0 108.179 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 16.0 t -130.96 146.2 52.28 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.748 0.419 . . . . 0.0 109.876 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -97.22 -2.21 43.28 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -172.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -80.92 158.87 25.12 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.321 0.509 . . . . 0.0 111.277 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -76.13 -6.78 52.79 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -174.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 34.6 m -102.1 -11.3 8.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 122.601 0.36 . . . . 0.0 111.506 -176.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 11.8 p -148.89 43.04 0.97 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.043 0.537 . . . . 0.0 110.484 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -73.84 43.02 0.15 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.909 0.883 . . . . 0.0 112.002 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -134.95 176.66 8.46 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 124.513 1.125 . . . . 0.0 110.061 -177.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -86.71 153.14 21.95 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 120.861 0.362 . . . . 0.0 110.74 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -149.13 167.71 25.19 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.299 0.64 . . . . 0.0 110.993 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 29.2 p -123.69 179.92 4.61 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.389 1.475 . . . . 0.0 107.738 173.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -58.81 -27.03 64.67 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.56 -0.712 . . . . 0.0 111.386 -176.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 70.9 m -75.63 -61.65 1.85 Allowed 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.396 0.278 . . . . 0.0 110.67 -177.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 7.1 p -74.56 -22.72 58.85 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 -174.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -64.54 -47.04 80.28 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 173.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -76.82 -4.9 45.99 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 117.887 0.312 . . . . 0.0 111.739 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 54.2 m0 -88.43 -15.23 35.99 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.347 0.522 . . . . 0.0 111.943 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -122.23 -24.77 5.0 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 176.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -94.54 14.26 21.42 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.519 0.6 . . . . 0.0 112.191 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 65.2 p -92.69 -13.44 29.4 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 123.423 0.689 . . . . 0.0 112.057 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.5 ptp -96.44 153.67 17.7 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 122.909 0.484 . . . . 0.0 110.88 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -60.2 -16.48 33.56 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -173.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -81.85 -5.68 89.6 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-O 119.217 -0.768 . . . . 0.0 112.704 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.3 mp -139.55 2.61 2.04 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.493 1.147 . . . . 0.0 113.655 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -73.89 0.13 14.29 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 119.36 0.982 . . . . 0.0 112.286 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 57.3 p-80 -100.76 4.86 43.36 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.316 0.646 . . . . 0.0 111.846 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -82.19 169.28 16.78 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.001 0.52 . . . . 0.0 111.292 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 62.6 m -135.85 144.83 50.29 Favored Pre-proline 0 C--O 1.232 0.164 0 C-N-CA 123.912 0.885 . . . . 0.0 108.985 176.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -72.45 161.19 44.93 Favored 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 123.529 2.819 . . . . 0.0 111.459 -177.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 15.4 tp . . . . . 0 N--CA 1.455 -0.204 0 C-N-CA 124.131 0.972 . . . . 0.0 108.542 178.397 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 16.5 tp . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 48.3 t -58.58 144.71 41.94 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -93.47 -16.63 24.31 Favored 'General case' 0 N--CA 1.458 -0.07 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -171.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 35.5 mm -109.8 -19.22 7.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 CA-C-N 118.552 0.615 . . . . 0.0 111.37 -176.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 27.9 p -134.46 -25.52 1.5 Allowed 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 5.5 p 45.87 21.56 0.1 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.863 1.265 . . . . 0.0 113.316 -176.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 66.0 m -91.63 -6.49 52.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.252 0.621 . . . . 0.0 110.916 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -135.23 156.52 78.03 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 124.324 1.049 . . . . 0.0 109.217 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -79.58 19.99 0.91 Allowed 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 125.218 3.945 . . . . 0.0 113.178 -169.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 61.97 63.26 4.91 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 177.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -67.22 -10.17 27.68 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 123.937 3.091 . . . . 0.0 112.116 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -133.75 163.34 29.68 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.949 0.404 . . . . 0.0 111.369 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -146.2 151.95 38.44 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.249 1.019 . . . . 0.0 108.48 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 9.6 t -125.61 135.74 52.51 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -111.77 75.43 0.92 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.37 0.668 . . . . 0.0 111.242 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -132.74 -176.27 4.05 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.563 0.345 . . . . 0.0 111.29 176.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -93.05 -2.82 55.25 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.165 0.586 . . . . 0.0 111.325 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 17.8 m -115.71 -22.55 4.55 Favored 'Isoleucine or valine' 0 C--N 1.34 0.165 0 C-N-CA 122.735 0.414 . . . . 0.0 111.089 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 4.3 p -137.22 131.14 32.01 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 172.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -147.93 23.86 1.07 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.896 0.479 . . . . 0.0 111.733 -171.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -132.45 178.36 6.89 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.077 0.551 . . . . 0.0 110.755 -174.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -82.2 148.79 28.25 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.801 0.44 . . . . 0.0 110.754 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -149.9 161.38 42.4 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.529 0.731 . . . . 0.0 110.237 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 24.7 p -100.29 173.65 6.5 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 170.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.68 -24.72 66.94 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 121.706 -0.621 . . . . 0.0 111.701 -177.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 7.6 t -69.97 -46.74 64.58 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 109.618 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 37.4 m -82.97 -24.1 33.1 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.842 -173.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -63.21 -40.74 98.34 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -72.35 -28.87 63.31 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.191 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 53.0 m0 -72.85 -7.61 51.66 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.394 0.543 . . . . 0.0 111.516 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 88.3 mmt-85 -124.96 0.59 7.97 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -139.85 9.33 2.37 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 69.5 m -77.01 -9.94 59.04 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 119.052 0.842 . . . . 0.0 111.076 175.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.8 ptp -81.81 150.61 27.78 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 177.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -72.46 -11.94 60.89 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.362 0.265 . . . . 0.0 111.607 -176.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -82.74 -16.0 71.66 Favored Glycine 0 CA--C 1.527 0.826 0 CA-C-O 118.846 -0.974 . . . . 0.0 113.678 -176.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 68.1 mt -123.22 19.46 9.85 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 118.545 1.173 . . . . 0.0 112.518 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -72.05 0.89 8.34 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.972 -0.455 . . . . 0.0 111.892 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -93.39 -4.91 50.58 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.317 0.647 . . . . 0.0 111.915 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -74.04 159.0 33.28 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.935 0.397 . . . . 0.0 110.844 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 69.0 m -139.41 149.06 59.01 Favored Pre-proline 0 N--CA 1.455 -0.223 0 C-N-CA 123.362 0.665 . . . . 0.0 109.444 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -68.78 156.49 65.28 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 123.572 2.848 . . . . 0.0 111.097 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 24.7 tp . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 -179.45 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 14.4 tp . . . . . 0 N--CA 1.45 -0.459 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 54.1 t -57.29 139.59 52.39 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -87.08 -10.38 53.06 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -171.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 40.9 mm -116.39 -21.7 4.93 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-N 118.25 0.477 . . . . 0.0 111.875 -175.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 31.9 p -133.47 -21.03 2.04 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 118.305 0.502 . . . . 0.0 112.25 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 6.2 p 42.57 28.15 0.11 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.888 1.275 . . . . 0.0 113.689 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 59.0 m -87.99 -8.81 55.11 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 122.99 0.516 . . . . 0.0 111.911 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -157.26 157.2 30.22 Favored Pre-proline 0 N--CA 1.454 -0.244 0 C-N-CA 122.99 0.516 . . . . 0.0 109.842 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -66.01 106.73 1.01 Allowed 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 122.636 2.224 . . . . 0.0 107.684 171.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -51.39 116.11 4.36 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 123.556 0.598 . . . . 0.0 111.749 -175.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -77.09 -8.03 17.48 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 123.763 2.975 . . . . 0.0 111.617 177.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -123.6 157.42 33.76 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.177 0.513 . . . . 0.0 112.196 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -145.27 160.12 41.97 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.798 1.239 . . . . 0.0 108.968 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 8.8 t -134.43 154.51 51.35 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -103.82 -15.31 15.74 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -169.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.33 153.5 33.76 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.901 0.773 . . . . 0.0 110.788 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -71.78 -5.18 32.23 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 32.8 m -94.06 -11.87 8.88 Favored 'Isoleucine or valine' 0 C--N 1.341 0.204 0 CA-C-O 119.538 -0.268 . . . . 0.0 111.346 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 9.2 p -150.66 40.89 0.76 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 122.939 0.496 . . . . 0.0 110.73 178.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -74.84 52.51 0.54 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.772 0.829 . . . . 0.0 111.826 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -141.96 172.88 12.08 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 124.556 1.142 . . . . 0.0 109.929 -177.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -86.33 151.56 23.48 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.722 0.296 . . . . 0.0 110.427 177.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -147.9 167.71 24.13 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.4 0.619 . . . . 0.0 111.062 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 22.1 p -111.95 174.97 5.62 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.752 1.221 . . . . 0.0 108.71 172.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -60.01 -25.67 65.48 Favored 'General case' 0 C--O 1.232 0.179 0 O-C-N 122.0 -0.437 . . . . 0.0 111.66 -175.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 10.8 t -71.66 -52.21 19.08 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.119 0.485 . . . . 0.0 109.855 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' CYS . . . . . 0.429 ' HA ' ' HB3' ' A' ' 463' ' ' TRP . 37.1 m -77.39 -23.12 50.75 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.659 -173.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -69.39 -50.92 41.55 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -75.96 -8.74 57.65 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.745 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' TRP . . . . . 0.429 ' HB3' ' HA ' ' A' ' 460' ' ' CYS . 71.1 t90 -82.15 -21.67 36.47 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.991 0.516 . . . . 0.0 111.319 176.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 51.5 ttt85 -120.34 -17.43 8.21 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -107.65 6.27 27.64 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 23.3 t -95.11 -5.42 44.25 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-N 118.125 0.42 . . . . 0.0 111.415 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 23.8 ptp -80.15 155.99 27.19 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 122.192 -0.317 . . . . 0.0 110.598 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -78.44 71.21 4.89 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.915 0.486 . . . . 0.0 110.366 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -174.92 -25.98 0.03 OUTLIER Glycine 0 CA--C 1.529 0.912 0 CA-C-O 119.241 -0.755 . . . . 0.0 112.873 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 52.6 mt -117.2 23.2 12.0 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.168 0.984 . . . . 0.0 111.438 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -69.86 -3.49 16.03 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 123.533 0.733 . . . . 0.0 111.862 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -93.87 -2.55 53.25 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.418 0.687 . . . . 0.0 112.199 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 52.8 m170 -80.44 156.85 26.42 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 118.208 0.458 . . . . 0.0 110.348 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 64.3 m -140.69 150.8 61.35 Favored Pre-proline 0 N--CA 1.455 -0.178 0 C-N-CA 123.39 0.676 . . . . 0.0 109.186 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.76 148.98 52.56 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.6 2.867 . . . . 0.0 112.896 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 95.7 mt . . . . . 0 N--CA 1.457 -0.124 0 C-N-CA 124.262 1.025 . . . . 0.0 109.255 178.394 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.407 HD21 ' HB2' ' A' ' 439' ' ' SER . 30.7 tp . . . . . 0 N--CA 1.451 -0.377 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.435 ' HG ' ' HG ' ' A' ' 438' ' ' CYS . 53.4 t -55.71 133.34 50.73 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -88.42 -2.29 58.51 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -173.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 31.9 mm -117.83 -20.76 5.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 118.682 0.674 . . . . 0.0 111.296 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.435 ' HG ' ' HG ' ' A' ' 435' ' ' CYS . 26.0 p -137.39 -25.43 1.03 Allowed 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' SER . . . . . 0.407 ' HB2' HD21 ' A' ' 434' ' ' LEU . 6.2 p 46.22 26.27 0.43 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.294 1.038 . . . . 0.0 113.262 -178.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 67.2 m -85.97 -11.23 53.58 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -150.88 159.81 33.31 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-O 119.195 -0.431 . . . . 0.0 109.866 176.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -57.56 5.53 0.07 OUTLIER 'Trans proline' 0 CA--C 1.537 0.632 1 C-N-CA 126.11 4.54 . . . . 0.0 116.673 -171.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 65.61 72.97 0.65 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -72.57 -8.5 22.64 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.968 3.112 . . . . 0.0 111.846 -176.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -125.05 157.48 36.15 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.168 0.509 . . . . 0.0 111.515 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -142.28 145.16 33.71 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.611 0.764 . . . . 0.0 109.92 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 17.1 t -121.61 122.69 40.2 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -92.72 -11.85 32.91 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -170.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.3 153.66 37.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.11 -0.369 . . . . 0.0 111.326 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -71.24 -3.16 18.81 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 -173.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 34.1 m -106.24 -5.96 10.1 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 CA-C-N 117.969 0.35 . . . . 0.0 111.102 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 65.5 m -116.84 -65.72 1.16 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 17.9 t80 46.28 27.27 0.55 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.847 1.659 . . . . 0.0 114.454 175.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -142.4 167.01 23.11 Favored 'General case' 0 C--N 1.338 0.108 0 C-N-CA 123.25 0.62 . . . . 0.0 111.212 -177.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -89.09 150.52 22.7 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.264 0.625 . . . . 0.0 110.013 177.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -149.64 165.88 30.97 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.272 0.558 . . . . 0.0 111.106 -177.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . 0.431 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 22.6 p -102.95 176.12 5.25 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 170.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 41.9 ptt180 -61.31 -28.18 69.01 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.706 -0.621 . . . . 0.0 111.356 -177.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 7.8 t -69.94 -48.97 56.35 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.409 0.623 . . . . 0.0 109.98 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' CYS . . . . . 0.431 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 56.2 m -80.82 -22.97 39.51 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.905 -172.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -64.32 -40.68 96.4 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 173.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -74.29 -21.57 59.67 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.789 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 52.4 m0 -78.78 -9.0 59.3 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.448 0.567 . . . . 0.0 111.55 176.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -123.39 2.83 9.1 Favored 'General case' 0 C--N 1.338 0.099 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -139.72 14.67 2.51 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 54.6 p -75.74 -26.06 57.1 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 118.49 0.587 . . . . 0.0 111.303 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -73.56 150.68 41.3 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 30.2 mp0 -71.74 -8.66 55.56 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.295 0.238 . . . . 0.0 111.417 -177.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -80.14 -21.72 64.66 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 118.735 -1.036 . . . . 0.0 113.558 -176.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 52.3 mt -121.22 15.58 11.44 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.738 1.269 . . . . 0.0 112.68 -174.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -73.95 2.28 8.98 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.599 0.636 . . . . 0.0 112.077 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -90.22 -4.67 57.07 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.964 0.506 . . . . 0.0 111.651 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -75.03 157.66 34.48 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 122.715 0.406 . . . . 0.0 110.214 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 61.5 m -134.6 135.45 23.62 Favored Pre-proline 0 N--CA 1.456 -0.144 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 176.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -76.43 149.74 31.39 Favored 'Trans proline' 0 N--CA 1.45 -1.064 0 C-N-CA 123.198 2.599 . . . . 0.0 111.716 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 172.196 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.482 HD21 ' HB2' ' A' ' 439' ' ' SER . 31.5 tp . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 44.1 t -58.66 137.67 57.43 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -100.2 2.86 43.29 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -171.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 33.6 mm -112.98 -23.25 4.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 118.328 0.513 . . . . 0.0 110.598 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 7.8 p -144.73 -17.39 0.53 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -176.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' SER . . . . . 0.482 ' HB2' HD21 ' A' ' 434' ' ' LEU . 8.3 p 43.78 31.01 0.43 Allowed 'General case' 0 C--N 1.343 0.322 0 C-N-CA 124.428 1.091 . . . . 0.0 113.803 176.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 13.0 t -86.85 -17.61 32.94 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.877 0.37 . . . . 0.0 111.225 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . 0.418 ' HB2' ' HD2' ' A' ' 442' ' ' PRO . 9.2 pt20 -149.99 157.09 38.04 Favored Pre-proline 0 N--CA 1.455 -0.208 0 C-N-CA 123.895 0.878 . . . . 0.0 109.195 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 441' ' ' GLN . 75.7 Cg_endo -67.71 28.93 0.13 Allowed 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 125.291 3.994 . . . . 0.0 114.713 -171.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 59.12 80.82 0.08 OUTLIER Glycine 0 CA--C 1.527 0.809 0 C-N-CA 123.722 0.677 . . . . 0.0 112.29 173.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -71.69 -9.17 24.52 Favored 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 123.562 2.841 . . . . 0.0 111.47 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -134.51 162.35 32.5 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.353 0.596 . . . . 0.0 111.85 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -140.51 156.14 46.43 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.657 1.183 . . . . 0.0 108.02 175.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 23.3 t -131.61 133.3 44.82 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -178.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -126.67 87.26 2.63 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.541 0.737 . . . . 0.0 109.964 -172.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -137.84 -177.15 4.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.302 177.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -70.68 -9.33 56.88 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 122.074 -0.391 . . . . 0.0 110.996 177.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 18.6 m -129.5 -12.71 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 C-N-CA 122.991 0.516 . . . . 0.0 111.594 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 87.1 m -111.73 128.9 56.23 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -156.45 28.79 0.34 Allowed 'General case' 0 C--O 1.232 0.133 0 C-N-CA 122.388 0.275 . . . . 0.0 111.269 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -130.67 170.17 14.66 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.155 0.582 . . . . 0.0 110.996 -176.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -85.09 149.86 25.26 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -146.21 170.88 15.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.462 0.649 . . . . 0.0 110.413 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 22.6 p -123.69 174.26 7.59 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.895 1.278 . . . . 0.0 107.797 172.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -61.55 -29.02 69.75 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.525 -0.735 . . . . 0.0 111.752 -172.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 22.7 t -73.32 -50.49 21.83 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.456 0.17 . . . . 0.0 111.149 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 18.3 p -82.59 -14.97 53.89 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 122.21 -0.306 . . . . 0.0 111.246 -179.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 37.9 t-105 -62.02 -39.67 93.05 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 171.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -74.43 -27.69 60.72 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 119.407 -0.33 . . . . 0.0 110.75 177.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.9 m0 -68.18 -16.06 63.83 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.833 0.742 . . . . 0.0 111.7 176.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 18.6 tpp85 -112.81 -20.09 11.75 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 122.915 0.486 . . . . 0.0 111.873 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -126.66 5.62 6.76 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -172.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 36.3 t -74.46 -16.35 60.86 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.048 0.84 . . . . 0.0 109.818 174.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.9 ptp -77.07 152.53 35.02 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.935 0.494 . . . . 0.0 109.96 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -79.9 -10.31 59.76 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -178.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -75.88 -20.7 77.64 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-O 119.374 -0.681 . . . . 0.0 112.772 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 79.2 mt -125.04 23.85 7.67 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 117.799 0.799 . . . . 0.0 110.921 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -68.09 -2.16 7.31 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.19 0.596 . . . . 0.0 112.095 -177.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -95.75 -1.24 50.21 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.902 0.881 . . . . 0.0 112.256 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -77.53 157.65 30.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 118.294 0.497 . . . . 0.0 110.391 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 49.8 m -137.46 148.17 60.66 Favored Pre-proline 0 C--O 1.234 0.24 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -68.82 150.79 74.08 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 123.539 2.826 . . . . 0.0 111.497 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 124.435 1.094 . . . . 0.0 108.902 179.247 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' A' ' 439' ' ' SER . 40.4 tp . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 35.5 t -56.64 138.59 52.21 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 178.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -94.96 -2.83 49.69 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -172.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 42.5 mm -114.62 -25.69 3.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 118.886 0.766 . . . . 0.0 111.19 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.468 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 6.4 p -142.24 -17.6 0.73 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -177.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' SER . . . . . 0.452 ' HB2' HD21 ' A' ' 434' ' ' LEU . 5.6 p 45.21 30.4 0.64 Allowed 'General case' 0 C--N 1.343 0.299 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 176.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 13.0 t -85.43 -19.0 31.98 Favored 'General case' 0 N--CA 1.457 -0.119 0 O-C-N 122.179 -0.326 . . . . 0.0 111.791 -177.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -148.83 163.11 27.14 Favored Pre-proline 0 N--CA 1.45 -0.435 0 C-N-CA 123.394 0.678 . . . . 0.0 109.818 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -56.96 8.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 1 C-N-CA 126.005 4.47 . . . . 0.0 116.695 -172.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 64.19 73.93 0.51 Allowed Glycine 0 CA--C 1.525 0.659 0 CA-C-N 119.447 1.021 . . . . 0.0 110.98 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -73.1 -8.49 22.21 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.835 3.023 . . . . 0.0 112.059 -176.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -125.32 157.75 35.91 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.191 0.519 . . . . 0.0 111.673 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -149.34 158.18 43.95 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.565 1.146 . . . . 0.0 108.203 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 9.0 t -129.24 159.76 35.1 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.223 0.465 . . . . 0.0 110.353 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 48.4 tpt85 -103.65 -17.25 15.21 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -169.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -79.3 154.82 28.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 118.874 0.761 . . . . 0.0 110.838 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -73.47 -5.24 38.79 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 32.6 m -92.74 -14.94 8.23 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 CA-C-N 117.767 0.258 . . . . 0.0 111.117 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 11.3 p -146.76 40.17 1.07 Allowed 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.966 0.506 . . . . 0.0 110.898 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -75.15 47.64 0.37 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.693 0.797 . . . . 0.0 112.083 -177.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -135.72 171.24 14.73 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.016 0.926 . . . . 0.0 110.219 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -85.74 148.57 25.79 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.982 0.42 . . . . 0.0 110.501 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -146.99 174.65 11.33 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.571 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . 0.468 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 19.2 p -126.21 178.41 5.82 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.897 1.279 . . . . 0.0 108.376 175.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -55.48 -41.4 72.93 Favored 'General case' 0 C--O 1.231 0.106 0 O-C-N 121.813 -0.554 . . . . 0.0 111.433 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 73.0 m -66.37 -49.22 67.61 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -174.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 10.2 p -88.57 -15.73 34.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -174.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -62.59 -38.58 90.69 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 171.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -75.1 -29.67 60.69 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.545 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -70.46 -8.93 54.81 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.562 0.619 . . . . 0.0 111.426 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -123.93 -2.28 8.25 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -139.5 1.24 1.93 Allowed 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 30.3 t -80.12 -15.03 57.99 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.903 0.774 . . . . 0.0 109.908 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.8 ptp -71.87 147.06 47.49 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 176.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -67.13 -11.87 58.45 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -175.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -82.5 -20.86 61.22 Favored Glycine 0 CA--C 1.529 0.918 0 CA-C-O 118.838 -0.979 . . . . 0.0 113.877 -176.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 78.7 mt -127.15 22.01 6.68 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.676 1.238 . . . . 0.0 112.751 -173.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -71.49 -0.02 9.48 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.746 -0.596 . . . . 0.0 112.08 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 54.2 p-80 -90.19 -2.12 58.02 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.981 0.513 . . . . 0.0 111.687 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -79.65 160.3 26.4 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.932 0.493 . . . . 0.0 111.046 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 69.9 m -139.22 147.33 52.76 Favored Pre-proline 0 N--CA 1.453 -0.3 0 C-N-CA 124.09 0.956 . . . . 0.0 108.564 176.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.19 134.54 25.2 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 123.295 2.663 . . . . 0.0 111.487 -176.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 CA--C 1.529 0.172 0 C-N-CA 124.436 1.094 . . . . 0.0 108.922 174.536 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.55 HD21 ' HB2' ' A' ' 439' ' ' SER . 43.2 tp . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 36.3 t -59.66 127.12 30.42 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 175.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -86.23 3.82 41.43 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 112.602 0.594 . . . . 0.0 112.602 -174.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 35.0 mm -122.45 -24.98 2.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 117.88 0.309 . . . . 0.0 110.498 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 9.1 m -121.19 -35.03 3.37 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 122.219 0.208 . . . . 0.0 111.204 -174.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' SER . . . . . 0.55 ' HB2' HD21 ' A' ' 434' ' ' LEU . 13.2 p 41.61 27.41 0.06 Allowed 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.974 1.31 . . . . 0.0 114.111 -176.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 75.4 m -94.57 -10.45 32.01 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.408 0.683 . . . . 0.0 110.328 177.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -152.41 160.18 31.64 Favored Pre-proline 0 C--O 1.233 0.229 0 C-N-CA 124.233 1.013 . . . . 0.0 109.002 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -56.11 -9.45 3.32 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 124.396 3.397 . . . . 0.0 114.633 -175.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 75.82 91.26 0.21 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 -177.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -73.76 -7.38 20.02 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.623 2.882 . . . . 0.0 111.557 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -127.38 159.01 35.76 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 122.771 0.428 . . . . 0.0 111.453 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -145.64 151.02 37.39 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.503 1.121 . . . . 0.0 108.177 175.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 34.7 t -117.69 124.75 49.29 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.514 ' H ' ' CD ' ' A' ' 448' ' ' ARG . 0.0 OUTLIER -93.43 7.27 45.17 Favored 'General case' 0 CA--C 1.527 0.088 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -172.342 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -82.3 158.64 23.37 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.089 0.471 . . . . 0.0 111.093 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -72.82 -2.96 22.62 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 123.387 0.675 . . . . 0.0 112.56 -174.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 20.3 m -113.58 -0.51 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 122.781 0.433 . . . . 0.0 111.644 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 62.2 m -120.72 -69.94 0.81 Allowed 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 176.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 26.8 t80 47.24 33.22 2.45 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.278 1.431 . . . . 0.0 113.956 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -141.16 167.71 21.53 Favored 'General case' 0 C--N 1.339 0.15 0 O-C-N 121.891 -0.505 . . . . 0.0 111.334 -176.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -86.59 149.6 24.82 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.31 0.644 . . . . 0.0 109.598 175.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -148.98 172.64 14.39 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.401 0.62 . . . . 0.0 110.8 -176.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 22.0 p -124.3 176.71 6.27 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.491 1.516 . . . . 0.0 107.877 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -57.49 -35.34 70.09 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.241 0.473 . . . . 0.0 111.453 -174.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 75.1 m -67.12 -51.48 53.52 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 122.482 0.313 . . . . 0.0 111.349 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 15.5 p -86.81 -16.71 35.37 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -174.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -63.19 -38.24 90.39 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 172.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -77.86 -26.94 49.64 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.846 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 47.2 m0 -70.33 -13.81 62.31 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 118.62 0.646 . . . . 0.0 111.194 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.5 tpp85 -113.97 -16.37 12.18 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 122.874 0.47 . . . . 0.0 112.088 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -130.1 0.72 4.7 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -172.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 32.3 t -78.47 -14.0 59.57 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.899 0.772 . . . . 0.0 109.84 174.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.6 ptp -74.61 152.99 39.18 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.845 0.458 . . . . 0.0 109.77 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -72.36 -14.97 61.86 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.425 -0.172 . . . . 0.0 111.373 -176.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -79.12 -29.06 52.31 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-O 119.08 -0.844 . . . . 0.0 113.248 -176.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 66.2 mt -125.23 19.88 8.2 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.398 1.099 . . . . 0.0 112.212 -175.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -68.96 0.6 4.28 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -96.96 -2.36 43.78 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.579 0.751 . . . . 0.0 112.247 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -74.82 157.08 35.75 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.161 0.437 . . . . 0.0 110.189 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 475' ' ' PRO . 50.6 m -134.81 141.11 37.31 Favored Pre-proline 0 C--O 1.232 0.159 0 CA-C-O 119.184 -0.436 . . . . 0.0 110.027 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 475' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 474' ' ' SER . 52.4 Cg_exo -58.08 157.83 23.77 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 123.639 2.893 . . . . 0.0 113.422 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 30.3 tp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 176.355 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 3.2 tp . . . . . 0 N--CA 1.451 -0.418 0 N-CA-C 110.71 -0.107 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.513 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 39.6 t -58.04 129.19 40.8 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 174.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -83.22 1.35 41.2 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.988 -0.445 . . . . 0.0 111.933 -175.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 30.9 mm -122.54 -21.33 3.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 122.689 0.396 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 19.3 m -126.44 -26.15 3.35 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.633 0.373 . . . . 0.0 111.884 -173.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 16.0 p 40.04 38.25 0.47 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.298 1.439 . . . . 0.0 114.344 176.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 67.6 m -121.39 -0.14 9.89 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.242 0.617 . . . . 0.0 111.797 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.73 155.54 41.35 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 124.334 1.054 . . . . 0.0 109.525 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -69.42 24.0 0.16 Allowed 'Trans proline' 0 CA--C 1.534 0.498 0 C-N-CA 125.033 3.822 . . . . 0.0 113.686 -176.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 64.92 74.89 0.43 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -69.65 -9.4 26.05 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 123.299 2.666 . . . . 0.0 111.451 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -132.05 152.82 50.95 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 121.245 0.545 . . . . 0.0 111.516 177.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -151.78 161.1 43.21 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.975 1.31 . . . . 0.0 108.525 177.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 6.5 t -135.7 154.5 51.25 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 117.86 0.3 . . . . 0.0 110.197 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -103.07 -3.45 25.91 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -173.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.55 155.16 23.44 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 118.68 0.673 . . . . 0.0 111.055 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -74.99 -4.65 39.53 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.349 0.66 . . . . 0.0 112.197 -175.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.39 -8.39 9.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 11.3 p -149.04 35.94 0.76 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.015 0.526 . . . . 0.0 110.914 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -68.84 22.62 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.809 1.244 . . . . 0.0 113.376 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -107.88 164.57 12.15 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.408 0.683 . . . . 0.0 111.289 -175.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -81.02 146.46 30.65 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -143.69 170.93 14.93 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.325 0.583 . . . . 0.0 111.222 -175.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 27.4 p -117.5 179.03 4.17 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.31 1.444 . . . . 0.0 107.457 172.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -61.11 -32.42 72.1 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.658 0.663 . . . . 0.0 111.526 -174.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 19.5 t -73.01 -50.74 21.38 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 122.172 0.189 . . . . 0.0 111.311 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' CYS . . . . . 0.513 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 16.9 p -82.61 -16.01 50.01 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 -178.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -61.16 -41.53 96.94 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 170.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -71.92 -29.16 64.02 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.735 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 52.8 m0 -69.67 -12.22 61.46 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 118.793 0.724 . . . . 0.0 111.591 177.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -118.68 -7.88 10.47 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -139.06 -1.14 1.79 Allowed 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -174.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 22.9 t -81.12 -13.78 58.35 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 119.047 0.839 . . . . 0.0 109.921 175.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.6 ptp -73.49 150.87 41.29 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.999 0.519 . . . . 0.0 109.825 176.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . 0.45 ' H ' ' CD ' ' A' ' 468' ' ' GLU . 1.1 pm0 -69.95 -7.23 38.85 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -177.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -84.38 -30.99 26.16 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 118.871 -0.961 . . . . 0.0 112.743 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 67.2 mt -126.67 14.93 7.56 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 118.345 1.072 . . . . 0.0 112.774 -174.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -70.02 2.02 3.98 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.933 -0.48 . . . . 0.0 112.128 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -94.44 -1.72 53.1 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.559 0.744 . . . . 0.0 112.055 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -76.45 164.11 26.3 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.732 0.413 . . . . 0.0 110.816 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 52.7 m -124.56 146.87 53.84 Favored Pre-proline 0 N--CA 1.454 -0.27 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -74.79 136.49 20.93 Favored 'Trans proline' 0 N--CA 1.45 -1.057 0 C-N-CA 123.248 2.632 . . . . 0.0 112.043 -176.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 CA--C 1.528 0.134 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 172.73 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.447 ' HB3' ' HA ' ' A' ' 439' ' ' SER . 1.8 mm? . . . . . 0 CA--C 1.531 0.245 0 CA-C-O 121.181 0.515 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 40.1 t -52.4 142.65 16.9 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.384 0.674 . . . . 0.0 109.76 172.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -84.78 0.3 51.2 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 -174.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 34.5 mm -118.7 -20.42 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.126 0 CA-C-N 118.396 0.544 . . . . 0.0 111.578 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.2 p -135.26 -18.3 1.76 Allowed 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -177.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' SER . . . . . 0.447 ' HA ' ' HB3' ' A' ' 434' ' ' LEU . 21.2 p 41.35 40.72 1.3 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 178.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 26.3 m -126.91 -0.25 6.61 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 124.414 1.086 . . . . 0.0 111.432 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -134.94 158.19 75.47 Favored Pre-proline 0 N--CA 1.454 -0.226 0 C-N-CA 124.05 0.94 . . . . 0.0 109.424 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -62.67 -2.35 3.36 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 124.887 3.725 . . . . 0.0 115.089 -171.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 61.53 49.94 71.64 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -175.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -70.97 -9.63 26.05 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 124.044 3.163 . . . . 0.0 112.877 -172.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -119.44 154.4 33.76 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.123 0.487 . . . . 0.0 111.664 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -147.84 152.96 38.52 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.782 1.233 . . . . 0.0 108.333 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 9.1 t -125.68 152.12 45.67 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.795 0.331 . . . . 0.0 110.918 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 45.7 mtm105 -92.88 -7.7 45.45 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -171.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.21 157.48 17.15 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 118.819 0.736 . . . . 0.0 110.856 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -73.98 -6.06 45.09 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -175.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 28.2 m -97.2 -10.18 8.89 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 CA-C-N 117.821 0.282 . . . . 0.0 111.345 -178.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 4.2 p -146.93 36.31 0.94 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.604 0.762 . . . . 0.0 110.363 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -73.72 34.61 0.08 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.514 1.125 . . . . 0.0 113.194 -175.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -131.67 170.21 15.1 Favored 'General case' 0 N--CA 1.458 -0.053 0 C-N-CA 123.813 0.845 . . . . 0.0 109.852 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -82.31 143.21 31.45 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -145.72 165.88 27.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.193 0.597 . . . . 0.0 110.69 -177.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 23.5 p -103.45 177.55 4.81 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.383 1.073 . . . . 0.0 109.166 173.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -58.92 -31.09 68.34 Favored 'General case' 0 CA--C 1.528 0.098 0 O-C-N 122.065 -0.397 . . . . 0.0 111.659 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 8.2 t -72.13 -48.6 42.51 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.822 0.82 . . . . 0.0 109.913 -178.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 37.6 m -80.2 -19.91 45.93 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.684 -172.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -67.19 -41.35 86.02 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 171.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -72.47 -16.35 61.8 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.885 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 54.3 m0 -86.71 -12.98 46.69 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.037 0.38 . . . . 0.0 111.82 175.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -109.73 -1.74 17.81 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 123.176 0.59 . . . . 0.0 111.8 175.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.44 ' CD2' ' HD1' ' A' ' 473' ' ' HIS . 44.6 m80 -136.9 19.43 3.03 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 117.944 0.338 . . . . 0.0 111.704 -177.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 54.8 p -68.37 -26.52 65.62 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 122.523 0.329 . . . . 0.0 111.045 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.3 ptp -82.17 152.25 26.56 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 122.781 0.433 . . . . 0.0 110.795 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . 0.451 ' H ' ' CD ' ' A' ' 468' ' ' GLU . 1.1 pm0 -73.17 -9.44 58.72 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.627 0.371 . . . . 0.0 111.898 -178.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -81.77 -13.5 79.64 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-O 118.966 -0.908 . . . . 0.0 113.551 -176.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 66.8 mt -119.91 19.14 12.44 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 118.616 1.208 . . . . 0.0 112.0 -177.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -74.53 0.55 14.47 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -90.62 -3.19 57.71 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.351 0.66 . . . . 0.0 111.478 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 473' ' ' HIS . . . . . 0.44 ' HD1' ' CD2' ' A' ' 465' ' ' HIS . 41.3 m170 -76.13 162.98 27.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.345 0.658 . . . . 0.0 111.67 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 75.6 p -144.62 149.61 44.2 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 123.893 0.877 . . . . 0.0 109.394 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -68.63 156.11 66.62 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 123.563 2.842 . . . . 0.0 111.004 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 11.9 tp . . . . . 0 N--CA 1.453 -0.319 0 C-N-CA 123.341 0.656 . . . . 0.0 109.573 -179.304 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.464 ' HB3' ' HA ' ' A' ' 439' ' ' SER . 2.6 mm? . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 121.083 0.468 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.517 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 30.8 t -54.03 135.75 42.6 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 169.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -71.91 -10.42 59.75 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -173.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 39.8 mm -122.47 -26.77 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 122.378 0.271 . . . . 0.0 110.999 -176.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.1 m -105.17 -24.08 12.8 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -173.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' SER . . . . . 0.464 ' HA ' ' HB3' ' A' ' 434' ' ' LEU . 22.6 p 35.96 48.14 0.48 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.803 1.241 . . . . 0.0 114.131 177.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 44.7 m -131.32 -16.83 3.06 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.211 0.605 . . . . 0.0 111.822 -177.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -158.52 158.24 29.36 Favored Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 123.683 0.793 . . . . 0.0 109.284 177.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -65.39 107.46 1.01 Allowed 'Trans proline' 0 N--CA 1.449 -1.146 0 C-N-CA 122.561 2.174 . . . . 0.0 107.887 170.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -51.1 136.11 30.47 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 123.238 0.447 . . . . 0.0 112.013 -177.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -75.12 -7.83 19.4 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 124.381 3.387 . . . . 0.0 111.541 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -130.39 156.53 44.57 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.91 0.484 . . . . 0.0 111.216 -179.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -136.26 137.85 41.19 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 173.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 19.0 t -100.25 116.28 31.86 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -87.3 6.14 34.92 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -172.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.55 156.31 22.85 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.039 -0.413 . . . . 0.0 110.662 177.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -70.84 -18.56 62.71 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -172.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 27.5 m -91.56 -8.18 10.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 118.474 0.579 . . . . 0.0 111.726 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 62.5 m -113.57 -65.66 1.16 Allowed 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 22.2 t80 47.93 25.71 0.81 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.931 1.692 . . . . 0.0 114.771 175.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -140.89 173.09 11.82 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.5 0.591 . . . . 0.0 111.465 -177.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -82.59 150.0 27.13 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.537 0.735 . . . . 0.0 110.688 177.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -151.01 173.84 13.85 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.474 0.709 . . . . 0.0 110.114 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 21.5 p -125.74 174.0 8.63 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.65 1.18 . . . . 0.0 108.256 175.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -58.37 -34.26 70.49 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.938 -0.477 . . . . 0.0 112.013 -172.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 74.9 m -69.05 -48.68 62.2 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -176.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' CYS . . . . . 0.517 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 23.3 p -88.95 -16.73 31.06 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 111.449 0.166 . . . . 0.0 111.449 -174.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -62.75 -39.38 93.96 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 171.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -73.7 -30.28 62.77 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.589 177.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 47.1 m0 -70.06 -12.37 61.56 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.661 0.664 . . . . 0.0 111.523 178.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 27.8 mmt85 -118.69 -4.31 10.76 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 178.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -133.33 3.56 3.64 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 73.2 m -76.87 -13.79 59.96 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 121.368 -0.832 . . . . 0.0 110.591 173.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.3 ptp -73.51 151.33 41.04 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 176.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -72.02 -17.55 62.03 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -175.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -78.58 -22.06 67.91 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 118.978 -0.901 . . . . 0.0 113.827 -175.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 58.9 mt -120.56 25.04 10.01 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 118.576 1.188 . . . . 0.0 112.14 -174.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 29.5 mmt85 -68.81 -2.55 9.74 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.943 0.497 . . . . 0.0 112.163 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -97.42 -1.65 43.85 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.696 0.798 . . . . 0.0 112.47 -175.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -75.88 158.51 32.0 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 118.269 0.486 . . . . 0.0 111.128 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 54.3 p -145.97 147.82 33.46 Favored Pre-proline 0 N--CA 1.453 -0.302 0 C-N-CA 123.443 0.697 . . . . 0.0 109.79 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -71.78 161.16 45.93 Favored 'Trans proline' 0 N--CA 1.449 -1.114 0 C-N-CA 123.461 2.774 . . . . 0.0 111.336 -177.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 53.7 tp . . . . . 0 N--CA 1.454 -0.245 0 C-N-CA 123.709 0.803 . . . . 0.0 109.315 179.27 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.451 ' HB3' ' HA ' ' A' ' 439' ' ' SER . 2.7 mm? . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 121.169 0.509 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.538 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 12.0 t -56.97 137.66 55.26 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 169.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -78.89 -0.77 32.1 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 33.3 mm -123.44 -24.34 2.29 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 C-N-CA 122.689 0.395 . . . . 0.0 110.877 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 30.6 m -114.9 -24.85 8.44 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -172.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' SER . . . . . 0.451 ' HA ' ' HB3' ' A' ' 434' ' ' LEU . 20.3 p 41.94 39.19 1.21 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.117 0.967 . . . . 0.0 113.116 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 79.3 p -134.56 -14.13 2.23 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.584 0.754 . . . . 0.0 112.332 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -132.11 159.91 70.11 Favored Pre-proline 0 N--CA 1.456 -0.17 0 C-N-CA 123.882 0.873 . . . . 0.0 109.264 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -62.45 6.94 0.16 Allowed 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 124.949 3.766 . . . . 0.0 114.975 -175.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 57.75 58.46 14.49 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 -175.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -70.87 -11.08 28.89 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 123.967 3.112 . . . . 0.0 112.404 -169.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -121.37 151.76 39.78 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.101 0.477 . . . . 0.0 111.479 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -149.21 155.38 40.54 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.889 0.876 . . . . 0.0 108.73 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 7.6 t -131.13 162.13 30.58 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 122.744 0.417 . . . . 0.0 110.391 -176.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 48.7 tpt85 -100.59 -16.98 17.28 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 -170.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.72 155.75 24.13 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.708 0.685 . . . . 0.0 110.866 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -70.54 -4.36 22.61 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.224 0.609 . . . . 0.0 112.314 -175.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 23.3 m -101.06 -8.81 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 122.647 0.379 . . . . 0.0 111.298 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 3.9 p -146.19 32.28 1.0 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.625 0.77 . . . . 0.0 111.142 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -75.37 38.14 0.14 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.388 1.075 . . . . 0.0 112.349 -177.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -132.84 167.36 20.34 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 123.696 0.799 . . . . 0.0 110.207 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -83.13 140.14 32.78 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -143.94 170.44 15.9 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.305 0.642 . . . . 0.0 110.993 -174.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 22.6 p -116.27 179.82 3.88 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.178 1.391 . . . . 0.0 107.846 173.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 61.4 ttt85 -60.3 -31.66 70.47 Favored 'General case' 0 N--CA 1.462 0.131 0 O-C-N 121.692 -0.63 . . . . 0.0 111.813 -173.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 17.5 t -73.06 -49.72 27.01 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 120.437 0.161 . . . . 0.0 111.374 -174.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' CYS . . . . . 0.538 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 7.0 p -84.02 -16.18 44.87 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 119.585 -0.245 . . . . 0.0 111.422 -178.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -62.83 -39.31 93.94 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 170.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -72.35 -27.73 62.59 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.187 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.7 m0 -72.98 -10.08 59.42 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.784 0.72 . . . . 0.0 111.584 176.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -115.52 -3.96 12.32 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 118.875 -0.584 . . . . 0.0 112.317 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -138.35 14.51 2.79 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.889 0.768 . . . . 0.0 112.985 -176.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 58.5 p -72.12 -24.99 61.55 Favored 'General case' 0 C--O 1.232 0.148 0 O-C-N 122.11 -0.369 . . . . 0.0 110.981 176.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 21.7 ptp -76.44 145.38 39.32 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 122.776 0.43 . . . . 0.0 110.119 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.39 -10.02 57.92 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -175.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -80.87 -15.22 78.07 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-O 118.753 -1.026 . . . . 0.0 112.727 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 68.1 mt -123.03 13.08 9.72 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 118.606 1.203 . . . . 0.0 112.765 -176.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -74.58 4.62 5.84 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 118.738 0.699 . . . . 0.0 111.842 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -90.7 -3.99 57.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.653 0.781 . . . . 0.0 111.301 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -77.35 160.53 28.73 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.213 0.605 . . . . 0.0 111.221 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 62.8 m -138.82 132.48 16.17 Favored Pre-proline 0 C--O 1.233 0.214 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -62.09 142.08 90.97 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 122.796 2.331 . . . . 0.0 113.011 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 170.725 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 3.5 tp . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.513 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 38.4 t -60.23 127.97 34.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 173.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -81.1 2.77 25.92 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 32.6 mm -127.01 -23.85 1.64 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.173 0 C-N-CA 122.767 0.427 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 19.2 m -120.27 -27.36 5.26 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.883 0.473 . . . . 0.0 111.796 -173.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 19.6 p 40.18 39.25 0.62 Allowed 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 177.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 37.2 m -122.66 0.02 9.23 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 123.143 0.577 . . . . 0.0 111.497 177.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.41 155.81 45.93 Favored Pre-proline 0 N--CA 1.455 -0.224 0 C-N-CA 124.273 1.029 . . . . 0.0 109.277 -179.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -71.55 29.82 0.24 Allowed 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 125.005 3.804 . . . . 0.0 113.066 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 59.03 75.06 0.29 Allowed Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -70.32 -8.49 23.73 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.307 2.672 . . . . 0.0 111.604 -176.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -136.07 152.94 51.4 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.326 0.584 . . . . 0.0 111.958 178.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -151.56 151.94 32.24 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 7.2 t -121.28 141.04 51.28 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -86.75 -2.39 58.51 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -174.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -88.43 155.28 19.77 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 118.145 0.43 . . . . 0.0 110.855 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' GLN . . . . . 0.494 ' H ' ' CD ' ' A' ' 450' ' ' GLN . 0.0 OUTLIER -77.37 -0.74 26.85 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -174.569 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 28.8 m -102.95 -9.51 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 C-N-CA 122.497 0.319 . . . . 0.0 111.47 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 2.5 p -145.92 36.69 1.04 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.359 0.664 . . . . 0.0 110.29 177.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -74.26 41.58 0.14 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.818 1.247 . . . . 0.0 112.764 -176.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -134.89 165.6 24.94 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 123.344 0.658 . . . . 0.0 110.598 -177.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -80.25 139.85 36.49 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 121.0 0.428 . . . . 0.0 109.935 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -145.69 174.12 11.48 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.548 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 26.5 p -119.18 -178.65 3.63 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.046 1.339 . . . . 0.0 107.768 174.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -62.43 -26.07 68.3 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.511 -0.743 . . . . 0.0 111.932 -174.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 21.7 t -76.54 -52.72 9.21 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 117.806 0.275 . . . . 0.0 110.926 -175.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' CYS . . . . . 0.513 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 4.6 p -80.15 -15.49 56.98 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 111.468 0.173 . . . . 0.0 111.468 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 37.3 t-105 -64.58 -41.57 96.17 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -71.97 -19.79 61.83 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.668 177.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 53.6 m0 -81.48 -14.4 57.04 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.596 0.634 . . . . 0.0 111.813 175.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -105.32 -5.96 20.05 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.234 0.47 . . . . 0.0 111.216 175.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -134.68 23.03 3.64 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 117.827 0.285 . . . . 0.0 111.472 -177.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 53.8 p -70.1 -22.68 63.01 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 123.145 0.578 . . . . 0.0 111.496 177.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.9 ptp -94.1 140.43 29.75 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . 0.433 ' H ' ' CD ' ' A' ' 468' ' ' GLU . 1.0 OUTLIER -65.93 -8.78 24.36 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 -177.678 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -75.2 -15.47 81.12 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 118.686 -1.063 . . . . 0.0 112.884 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 62.8 mt -123.79 8.12 8.78 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.225 1.013 . . . . 0.0 112.619 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -78.35 7.53 6.36 Favored 'General case' 0 C--O 1.232 0.157 0 O-C-N 121.469 -0.77 . . . . 0.0 111.708 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -88.47 -3.16 58.88 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.579 0.751 . . . . 0.0 110.569 174.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -73.81 168.21 19.87 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.913 0.885 . . . . 0.0 110.804 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 78.2 p -136.16 148.33 64.14 Favored Pre-proline 0 N--CA 1.456 -0.134 0 C-N-CA 123.026 0.53 . . . . 0.0 110.188 177.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -72.35 162.18 42.26 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.694 2.929 . . . . 0.0 111.77 -177.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 16.3 tp . . . . . 0 N--CA 1.454 -0.24 0 C-N-CA 124.058 0.943 . . . . 0.0 108.634 177.529 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 21.2 tp . . . . . 0 N--CA 1.448 -0.551 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.523 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 42.5 t -58.56 146.09 36.98 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -92.54 -13.08 30.27 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -169.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 44.3 mm -114.97 -26.75 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 118.751 0.705 . . . . 0.0 111.801 -176.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 5.3 p -129.91 -22.56 2.89 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 118.911 -0.566 . . . . 0.0 111.895 -176.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 5.0 p 45.47 25.73 0.25 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.714 1.206 . . . . 0.0 113.429 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 60.5 m -82.98 -12.44 57.29 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 122.597 0.359 . . . . 0.0 111.337 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -158.13 157.58 29.34 Favored Pre-proline 0 N--CA 1.454 -0.267 0 C-N-CA 123.39 0.676 . . . . 0.0 110.02 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.33 106.21 1.17 Allowed 'Trans proline' 0 N--CA 1.452 -0.968 0 C-N-CA 122.382 2.055 . . . . 0.0 107.468 170.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -50.47 120.52 8.75 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-O 119.823 -0.432 . . . . 0.0 112.042 -175.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -76.79 -7.62 17.6 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 124.029 3.153 . . . . 0.0 111.25 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -126.67 159.23 34.25 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.232 0.539 . . . . 0.0 111.421 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -138.34 154.2 48.98 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 176.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' CYS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 43.4 t -131.26 131.52 43.93 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -177.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -108.57 82.51 1.62 Allowed 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.121 0.569 . . . . 0.0 110.926 -173.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -137.12 174.19 10.88 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.198 175.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -72.67 -13.21 61.3 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.264 0.625 . . . . 0.0 110.912 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 16.2 m -120.05 -14.16 8.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 C-N-CA 122.679 0.391 . . . . 0.0 111.693 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' CYS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 79.8 m -91.46 -97.94 0.12 Allowed 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 175.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 25.5 t80 54.8 32.46 17.63 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.574 1.149 . . . . 0.0 112.87 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -143.28 168.62 19.36 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.593 0.757 . . . . 0.0 110.491 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -84.86 149.63 25.55 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.072 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -148.19 170.21 18.35 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.85 0.46 . . . . 0.0 110.514 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . 0.416 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 23.9 p -121.22 173.45 7.3 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 174.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -57.31 -38.02 73.38 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.909 -0.494 . . . . 0.0 111.567 -171.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 73.1 m -69.16 -51.54 37.19 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -175.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' CYS . . . . . 0.523 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 25.0 p -84.22 -13.88 51.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.698 -175.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 17.6 t-105 -63.71 -41.17 98.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 170.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -74.09 -23.13 59.29 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.156 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 47.7 m0 -75.07 -18.7 60.25 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 118.546 0.612 . . . . 0.0 111.758 176.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -113.78 -1.61 13.89 Favored 'General case' 0 C--N 1.34 0.169 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.508 ' CD2' ' HD1' ' A' ' 473' ' ' HIS . 38.0 m80 -132.56 9.3 4.29 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 62.9 p -76.59 -23.21 53.46 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 122.01 -0.432 . . . . 0.0 110.502 174.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 20.2 ptp -73.56 142.36 46.65 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.076 0.55 . . . . 0.0 109.981 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -66.47 -17.05 64.58 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.735 0.414 . . . . 0.0 111.703 -172.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -75.56 -18.76 79.68 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 118.88 -0.956 . . . . 0.0 113.393 -177.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 69.6 mt -124.92 16.72 8.59 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.48 1.14 . . . . 0.0 113.126 -175.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -72.28 1.26 8.02 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 121.668 -0.645 . . . . 0.0 112.203 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 53.0 p-80 -88.7 -2.6 58.68 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.197 0.599 . . . . 0.0 111.557 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 473' ' ' HIS . . . . . 0.508 ' HD1' ' CD2' ' A' ' 465' ' ' HIS . 55.8 m170 -78.87 158.99 27.99 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.183 0.515 . . . . 0.0 110.879 179.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 77.7 p -145.15 151.39 48.18 Favored Pre-proline 0 N--CA 1.454 -0.247 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -66.03 153.72 76.94 Favored 'Trans proline' 0 N--CA 1.45 -1.048 0 C-N-CA 123.523 2.815 . . . . 0.0 110.821 -177.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 26.1 tp . . . . . 0 N--CA 1.454 -0.23 0 C-N-CA 123.614 0.766 . . . . 0.0 109.286 -178.229 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 2.1 tp . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.494 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 38.7 t -54.45 129.95 37.73 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -80.11 1.44 27.95 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -176.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 32.9 mm -124.39 -23.86 2.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 122.754 0.422 . . . . 0.0 110.575 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 18.7 m -119.13 -28.33 5.49 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.614 0.366 . . . . 0.0 111.375 -174.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 12.2 p 38.03 38.26 0.18 Allowed 'General case' 0 C--N 1.339 0.151 0 C-N-CA 125.717 1.607 . . . . 0.0 114.507 177.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 75.3 m -110.06 -11.62 14.6 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.646 0.378 . . . . 0.0 111.826 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -159.87 161.94 25.53 Favored Pre-proline 0 N--CA 1.453 -0.304 0 C-N-CA 122.856 0.463 . . . . 0.0 109.961 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.62 108.01 0.38 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 123.127 2.551 . . . . 0.0 108.141 169.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -52.63 122.63 20.16 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -177.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -75.08 -7.89 19.49 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.944 3.096 . . . . 0.0 112.187 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -126.0 148.03 49.39 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 118.392 0.542 . . . . 0.0 112.264 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -154.57 152.03 29.55 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.287 1.035 . . . . 0.0 109.506 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 68.7 m -116.54 142.16 47.24 Favored 'General case' 0 C--O 1.23 0.077 0 C-N-CA 123.137 0.575 . . . . 0.0 110.417 176.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -82.65 -4.73 58.19 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.836 174.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.84 153.97 36.46 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.524 0.73 . . . . 0.0 110.103 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -80.41 -16.01 55.47 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -174.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 34.8 m -84.62 -14.34 11.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 O-C-N 122.028 -0.42 . . . . 0.0 112.092 -177.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' CYS . . . . . 0.41 ' SG ' ' CE1' ' A' ' 473' ' ' HIS . 14.9 p -148.55 43.89 1.02 Allowed 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.177 0.591 . . . . 0.0 110.053 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -73.14 41.3 0.1 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.636 1.174 . . . . 0.0 111.892 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -132.37 168.95 17.23 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.144 0.978 . . . . 0.0 110.075 -177.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -87.35 147.15 25.61 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.892 0.377 . . . . 0.0 110.603 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -146.5 172.21 13.89 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.451 0.7 . . . . 0.0 110.409 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 18.8 p -125.54 178.92 5.37 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.969 1.308 . . . . 0.0 108.513 176.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -55.29 -38.88 69.2 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 121.594 -0.691 . . . . 0.0 112.051 -172.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 73.3 m -68.04 -50.28 56.24 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.499 0.319 . . . . 0.0 111.66 -175.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' CYS . . . . . 0.494 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 8.9 p -87.56 -15.95 35.98 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -174.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -62.36 -40.48 96.56 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 171.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -74.83 -27.08 60.14 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.879 177.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 43.2 m0 -72.95 -7.62 51.88 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.308 0.504 . . . . 0.0 111.431 175.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -123.92 -2.69 8.22 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 177.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -139.55 2.73 2.05 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -177.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 37.3 t -75.6 -21.0 58.19 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 118.796 0.726 . . . . 0.0 109.929 175.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.7 ptp -69.06 144.64 53.93 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 175.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . 0.446 ' H ' ' CD ' ' A' ' 468' ' ' GLU . 1.2 pm0 -70.26 -6.77 37.2 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -175.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -81.99 -22.11 59.97 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-O 118.999 -0.889 . . . . 0.0 113.376 -177.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 67.4 mt -123.92 18.89 9.33 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.478 1.139 . . . . 0.0 112.955 -174.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -73.24 1.3 9.66 Favored 'General case' 0 N--CA 1.462 0.174 0 O-C-N 121.653 -0.654 . . . . 0.0 111.862 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 55.3 p-80 -92.62 -0.72 57.27 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.442 0.697 . . . . 0.0 111.828 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 473' ' ' HIS . . . . . 0.41 ' CE1' ' SG ' ' A' ' 452' ' ' CYS . 49.5 m170 -75.55 162.64 28.12 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.053 0.454 . . . . 0.0 110.568 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 43.6 t -130.91 137.03 29.84 Favored Pre-proline 0 N--CA 1.452 -0.327 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 176.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.1 155.98 66.46 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.097 2.531 . . . . 0.0 111.597 -175.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 25.1 tp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 177.883 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.67 0.272 . . . . 0.0 111.465 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 35.8 t -56.62 134.2 54.31 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 175.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -83.13 1.48 40.2 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -175.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 34.2 mm -124.92 -24.58 1.92 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.147 0 C-N-CA 122.759 0.424 . . . . 0.0 110.257 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 17.4 m -116.7 -28.05 6.49 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -173.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 12.8 p 37.05 42.61 0.26 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.273 1.429 . . . . 0.0 114.018 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 12.7 t -123.84 -10.24 7.75 Favored 'General case' 0 CA--C 1.527 0.069 0 C-N-CA 122.535 0.334 . . . . 0.0 111.092 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -150.14 155.98 37.48 Favored Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 123.534 0.734 . . . . 0.0 109.731 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -71.58 11.56 0.62 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 124.524 3.483 . . . . 0.0 112.859 -176.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 68.64 101.39 0.03 OUTLIER Glycine 0 CA--C 1.532 1.107 0 C-N-CA 123.556 0.598 . . . . 0.0 111.796 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -74.97 -10.53 21.31 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 123.138 2.559 . . . . 0.0 111.249 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -128.64 162.6 26.94 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.011 0.524 . . . . 0.0 111.989 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -143.25 159.9 41.46 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.265 1.026 . . . . 0.0 108.677 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 45.3 t -130.79 130.97 44.38 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 122.928 0.491 . . . . 0.0 109.676 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -87.29 -3.41 59.04 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -171.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -80.37 155.95 26.94 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.485 0.584 . . . . 0.0 111.334 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -73.76 -9.49 58.71 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -174.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 33.1 m -95.49 -8.25 9.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 118.165 0.439 . . . . 0.0 110.73 176.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 61.8 m -110.9 -73.46 0.68 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 27.0 t80 48.61 23.05 0.57 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.784 1.634 . . . . 0.0 114.269 175.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -142.67 168.33 19.97 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 123.091 0.557 . . . . 0.0 110.96 -177.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -81.42 146.1 30.45 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.102 176.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -150.15 175.78 11.43 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.502 0.721 . . . . 0.0 110.265 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 14.4 p -120.24 170.35 9.41 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.402 1.081 . . . . 0.0 109.155 177.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -63.14 -24.54 67.94 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 121.768 -0.583 . . . . 0.0 112.28 -174.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 72.7 m -70.02 -55.63 9.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 122.125 -0.359 . . . . 0.0 110.533 -177.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 15.2 p -80.85 -16.87 52.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.947 -176.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 19.9 t-105 -60.82 -45.84 92.88 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 171.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -78.8 -10.38 59.76 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 117.796 0.271 . . . . 0.0 111.594 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 45.7 m0 -85.42 -10.43 56.22 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.554 0.615 . . . . 0.0 111.617 174.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -126.41 -24.53 3.62 Favored 'General case' 0 C--O 1.225 -0.224 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -94.79 14.01 22.75 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.799 0.727 . . . . 0.0 112.473 -176.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 66.0 m -102.47 11.05 38.5 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.214 0.606 . . . . 0.0 112.121 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.3 ptp -115.4 154.56 29.0 Favored 'General case' 0 C--N 1.335 -0.059 0 C-N-CA 123.113 0.565 . . . . 0.0 110.169 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.94 -22.51 49.29 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 -172.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -79.46 -5.71 89.17 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-O 119.494 -0.615 . . . . 0.0 112.986 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.0 mp -139.66 3.78 2.1 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.169 0.985 . . . . 0.0 113.242 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -76.38 15.53 0.58 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 118.94 0.791 . . . . 0.0 112.012 178.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -122.9 7.98 9.33 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.093 0.557 . . . . 0.0 112.088 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -81.34 168.12 18.75 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.859 0.361 . . . . 0.0 110.75 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 78.6 p -127.48 144.82 52.28 Favored Pre-proline 0 N--CA 1.455 -0.217 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -74.58 156.57 44.91 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 123.613 2.875 . . . . 0.0 111.851 -176.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 17.2 tp . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 174.7 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.437 HD21 ' HB2' ' A' ' 439' ' ' SER . 17.1 tp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.841 -0.059 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.566 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 50.5 t -54.92 144.12 23.99 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.475 0.31 . . . . 0.0 110.188 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -95.15 -18.52 20.86 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -170.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 41.3 mm -103.6 -23.2 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 118.361 0.528 . . . . 0.0 111.302 -176.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.434 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 6.5 p -141.22 -16.16 0.84 Allowed 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -176.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' SER . . . . . 0.437 ' HB2' HD21 ' A' ' 434' ' ' LEU . 4.0 p 45.2 26.31 0.24 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.287 1.035 . . . . 0.0 113.362 178.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 64.7 m -90.67 -7.33 52.93 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.91 0.484 . . . . 0.0 111.791 -178.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -141.1 158.93 63.42 Favored Pre-proline 0 CA--C 1.53 0.209 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 176.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -60.72 8.93 0.08 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.585 1 C-N-CA 125.427 4.085 . . . . 0.0 115.021 -178.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 70.77 62.19 3.72 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -175.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -69.43 -10.58 29.19 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 124.009 3.139 . . . . 0.0 111.982 -173.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -133.43 156.73 47.18 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.069 0.462 . . . . 0.0 111.304 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -130.45 156.25 45.08 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.501 1.121 . . . . 0.0 109.447 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 19.3 t -120.85 139.38 53.25 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 32.1 ttp-105 -88.19 -19.72 26.52 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -168.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.98 157.74 24.13 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 118.49 0.586 . . . . 0.0 111.595 -175.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -74.48 -8.98 58.1 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -177.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 30.6 m -89.47 -11.69 10.11 Favored 'Isoleucine or valine' 0 C--N 1.338 0.079 0 CA-C-N 117.77 0.259 . . . . 0.0 111.111 177.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 67.5 m -112.1 -63.25 1.45 Allowed 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 175.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 19.4 t80 47.16 20.56 0.14 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.517 1.927 . . . . 0.0 115.754 173.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -142.03 175.93 9.35 Favored 'General case' 0 C--O 1.23 0.069 0 O-C-N 121.612 -0.68 . . . . 0.0 110.938 -177.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -87.4 149.87 24.18 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.85 0.46 . . . . 0.0 109.963 176.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -149.45 173.48 13.52 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.484 0.714 . . . . 0.0 110.1 -176.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . 0.434 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 28.3 p -114.8 172.75 6.85 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 173.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -64.44 -26.72 68.57 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.52 -0.737 . . . . 0.0 111.76 -173.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 23.2 t -72.14 -50.94 23.89 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 117.667 0.212 . . . . 0.0 110.858 -176.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' CYS . . . . . 0.566 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 15.2 p -82.92 -13.59 55.79 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 122.389 -0.194 . . . . 0.0 111.201 -179.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -61.31 -40.92 95.95 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 169.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -72.48 -26.81 61.94 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.672 176.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.9 m0 -73.13 -11.66 60.62 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.651 0.66 . . . . 0.0 111.676 177.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 87.8 mmt-85 -120.72 -0.89 10.09 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -134.95 12.23 3.63 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.233 0.47 . . . . 0.0 112.219 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 63.8 p -76.92 -19.07 57.84 Favored 'General case' 0 C--O 1.232 0.139 0 O-C-N 121.939 -0.476 . . . . 0.0 110.922 175.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 20.5 ptp -77.03 150.37 35.79 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.364 0.666 . . . . 0.0 109.818 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.3 -8.74 57.46 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -174.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -85.91 -18.11 60.25 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-O 118.977 -0.902 . . . . 0.0 113.391 -176.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 59.2 mt -118.7 20.92 12.75 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.607 1.203 . . . . 0.0 112.189 -176.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -68.62 -5.35 19.5 Favored 'General case' 0 N--CA 1.461 0.111 0 O-C-N 121.853 -0.529 . . . . 0.0 112.189 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -91.0 -2.76 57.65 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.227 0.611 . . . . 0.0 112.397 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -77.15 156.25 31.75 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.17 0.441 . . . . 0.0 110.007 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 66.0 p -136.68 146.69 56.43 Favored Pre-proline 0 N--CA 1.456 -0.146 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 176.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -73.61 113.84 3.88 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 123.126 2.551 . . . . 0.0 111.786 -173.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 N--CA 1.455 -0.213 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 170.19 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.4 HD21 ' HB2' ' A' ' 439' ' ' SER . 30.4 tp . . . . . 0 N--CA 1.445 -0.676 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.533 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 42.1 t -56.26 137.86 51.42 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.404 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -84.24 -15.71 45.87 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -168.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 43.2 mm -115.84 -24.93 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 118.985 0.812 . . . . 0.0 112.113 -174.449 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 7.0 p -133.16 -18.12 2.32 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -176.442 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 439' ' ' SER . . . . . 0.4 ' HB2' HD21 ' A' ' 434' ' ' LEU . 5.6 p 44.47 30.29 0.48 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.266 1.027 . . . . 0.0 113.581 176.913 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 18.1 t -86.48 -16.97 35.42 Favored 'General case' 0 CA--C 1.528 0.13 0 O-C-N 122.218 -0.301 . . . . 0.0 111.408 -178.242 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -151.38 156.5 34.92 Favored Pre-proline 0 C--O 1.233 0.207 0 C-N-CA 123.875 0.87 . . . . 0.0 109.48 -179.374 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -68.86 21.53 0.14 Allowed 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 124.976 3.784 . . . . 0.0 113.978 -173.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 67.5 94.32 0.04 OUTLIER Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.156 0.884 . . . . 0.0 112.424 176.354 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -74.27 -9.8 22.03 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 123.48 2.787 . . . . 0.0 111.35 176.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -133.68 161.29 35.06 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.22 0.608 . . . . 0.0 111.013 -179.662 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -141.45 154.64 45.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.964 0.905 . . . . 0.0 109.208 177.571 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 447' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 49.2 t -134.71 133.26 39.8 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 178.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -105.34 15.44 27.27 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -170.775 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.53 168.99 15.1 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 121.852 -0.53 . . . . 0.0 111.806 -179.053 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -69.34 -20.75 63.86 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.691 0.397 . . . . 0.0 110.832 178.453 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 24.9 m -100.84 -20.29 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 119.283 -0.389 . . . . 0.0 111.638 178.242 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 452' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 71.7 m -92.92 -83.47 0.31 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.272 0.487 . . . . 0.0 111.028 178.149 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 23.3 t80 53.07 22.91 2.71 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.107 1.363 . . . . 0.0 113.603 -179.636 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -143.99 173.64 11.54 Favored 'General case' 0 C--N 1.34 0.16 0 O-C-N 121.821 -0.549 . . . . 0.0 111.559 -177.687 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -84.91 150.53 24.9 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.49 0.716 . . . . 0.0 110.567 178.223 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -149.04 174.52 12.21 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.698 0.799 . . . . 0.0 109.662 -179.635 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . 0.447 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 26.3 p -123.99 175.61 6.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.479 0.712 . . . . 0.0 109.532 176.473 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.99 -34.33 65.66 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -174.274 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 51.7 m -75.47 -53.48 8.6 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 122.198 -0.314 . . . . 0.0 111.061 -174.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 460' ' ' CYS . . . . . 0.533 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 8.8 p -79.61 -17.56 53.57 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.831 -0.168 . . . . 0.0 111.393 -175.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -62.71 -45.89 90.64 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 170.574 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -77.98 -7.96 57.52 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 52.4 m0 -84.79 -18.26 35.57 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 118.518 0.599 . . . . 0.0 111.726 173.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -120.47 -21.47 6.8 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.366 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -100.52 8.7 43.34 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 118.687 0.676 . . . . 0.0 111.99 -177.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 73.3 p -86.99 -15.18 39.51 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 122.932 0.493 . . . . 0.0 111.752 177.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.5 ptp -94.65 156.33 16.47 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.055 0.542 . . . . 0.0 110.468 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -71.78 -8.06 51.96 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -173.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -80.41 -12.64 82.83 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.695 -0.503 . . . . 0.0 112.002 177.339 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.3 mp -137.6 11.01 2.94 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 117.908 0.854 . . . . 0.0 112.135 179.772 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -69.41 -4.85 20.21 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 121.721 -0.612 . . . . 0.0 112.492 -176.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -99.7 3.44 45.04 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.929 0.892 . . . . 0.0 112.223 -176.472 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -79.95 161.73 25.34 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 122.553 0.341 . . . . 0.0 110.556 -178.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 68.1 m -134.58 147.3 62.69 Favored Pre-proline 0 N--CA 1.456 -0.145 0 C-N-CA 123.183 0.593 . . . . 0.0 109.478 178.203 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.26 154.55 69.56 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 123.59 2.86 . . . . 0.0 111.399 -177.138 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 13.8 tp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.21 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.42 HD21 ' HB2' ' A' ' 439' ' ' SER . 25.1 tp . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 42.2 t -60.18 145.9 45.38 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.568 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -97.09 -12.68 22.88 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -171.383 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 45.2 mm -108.16 -27.15 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 118.326 0.512 . . . . 0.0 111.159 -176.678 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 10.7 p -136.01 -18.38 1.58 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 118.888 -0.577 . . . . 0.0 112.459 -176.324 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 439' ' ' SER . . . . . 0.42 ' HB2' HD21 ' A' ' 434' ' ' LEU . 5.9 p 43.25 27.87 0.14 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.495 1.118 . . . . 0.0 113.434 179.27 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 58.9 m -93.94 -10.83 32.45 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.255 0.622 . . . . 0.0 110.224 179.374 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -139.34 160.83 60.37 Favored Pre-proline 0 N--CA 1.448 -0.575 0 C-N-CA 123.467 0.707 . . . . 0.0 109.423 -177.636 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -59.68 -2.85 1.69 Allowed 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 124.827 3.684 . . . . 0.0 115.329 -172.831 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 67.69 58.11 8.1 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.436 -1.065 . . . . 0.0 110.436 -176.668 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -72.56 -8.02 21.84 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 124.099 3.199 . . . . 0.0 112.312 -173.428 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -125.41 162.25 25.24 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.849 0.357 . . . . 0.0 111.659 -177.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -147.29 146.54 29.77 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.129 0.972 . . . . 0.0 108.913 177.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 5.1 t -113.03 158.05 20.78 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 122.498 0.319 . . . . 0.0 111.009 -177.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -129.96 61.11 1.58 Allowed 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 122.958 0.503 . . . . 0.0 111.595 -172.081 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -132.97 178.23 7.04 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.033 0.444 . . . . 0.0 111.271 177.145 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -82.86 -18.35 40.62 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.244 0.618 . . . . 0.0 109.921 177.156 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 20.1 m -100.89 -21.14 5.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 119.384 -0.341 . . . . 0.0 111.593 179.207 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 4.3 p -140.81 123.5 16.16 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.109 0.413 . . . . 0.0 109.919 172.817 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -149.61 32.38 0.71 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.299 0.64 . . . . 0.0 110.713 -175.348 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -123.9 179.04 4.98 Favored 'General case' 0 N--CA 1.458 -0.059 0 C-N-CA 123.87 0.868 . . . . 0.0 109.897 -178.301 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -85.1 147.87 26.42 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.147 175.638 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -145.61 173.41 12.08 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.504 0.722 . . . . 0.0 109.916 -176.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 27.7 p -126.12 176.18 7.22 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.558 1.143 . . . . 0.0 108.296 174.593 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -58.85 -31.83 68.88 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 121.82 -0.55 . . . . 0.0 111.721 -172.328 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 19.5 t -72.61 -51.02 21.44 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 122.355 -0.215 . . . . 0.0 111.316 -174.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 460' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 7.7 p -84.18 -17.61 39.4 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 119.676 -0.202 . . . . 0.0 111.451 -177.193 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 49.5 t-105 -63.29 -38.45 91.21 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 171.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -74.96 -26.66 59.76 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.013 177.049 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -69.16 -16.84 63.73 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.817 0.735 . . . . 0.0 111.504 176.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 27.6 mmt85 -115.19 -6.13 12.43 Favored 'General case' 0 C--N 1.34 0.168 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.468 ' CD2' ' HD1' ' A' ' 473' ' ' HIS . 32.1 m80 -135.2 11.65 3.55 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -175.665 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 73.8 p -75.0 -17.7 60.49 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-N 118.376 0.534 . . . . 0.0 110.96 175.547 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 21.9 ptp -83.31 151.0 25.78 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.633 0.773 . . . . 0.0 110.842 -179.683 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -76.4 -4.95 45.09 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -178.063 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -81.32 -21.99 61.45 Favored Glycine 0 C--N 1.338 0.666 0 CA-C-O 119.211 -0.772 . . . . 0.0 112.636 179.381 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 79.1 mt -127.79 15.59 6.93 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 117.911 0.856 . . . . 0.0 111.809 -177.405 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -69.3 -1.4 8.06 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -178.611 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 -88.85 -6.02 57.63 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.171 0.588 . . . . 0.0 112.011 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 473' ' ' HIS . . . . . 0.468 ' HD1' ' CD2' ' A' ' 465' ' ' HIS . 61.6 m170 -74.57 158.78 33.11 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.185 0.517 . . . . 0.0 110.96 178.612 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 61.2 p -141.83 140.12 19.42 Favored Pre-proline 0 N--CA 1.453 -0.287 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 175.526 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -74.79 142.59 28.77 Favored 'Trans proline' 0 N--CA 1.45 -1.079 0 C-N-CA 123.034 2.489 . . . . 0.0 111.795 -175.115 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 10.6 mp . . . . . 0 CA--C 1.529 0.147 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 173.045 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 439' ' ' SER . 16.8 tp . . . . . 0 N--CA 1.448 -0.555 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.543 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 38.4 t -63.13 149.51 45.05 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.652 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -101.71 -15.24 17.06 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -172.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 46.0 mm -99.52 -26.76 3.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 CA-C-N 118.329 0.513 . . . . 0.0 110.978 -178.02 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 7.9 p -141.42 -14.53 0.86 Allowed 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -176.069 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 439' ' ' SER . . . . . 0.484 ' HB2' HD21 ' A' ' 434' ' ' LEU . 3.9 p 44.97 28.11 0.34 Allowed 'General case' 0 C--N 1.342 0.262 0 C-N-CA 124.211 1.004 . . . . 0.0 113.652 179.002 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 23.0 t -85.94 -21.01 28.12 Favored 'General case' 0 CA--C 1.527 0.064 0 O-C-N 121.773 -0.579 . . . . 0.0 111.189 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -130.6 163.01 51.4 Favored Pre-proline 0 N--CA 1.453 -0.298 0 C-N-CA 123.575 0.75 . . . . 0.0 109.832 -179.016 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -61.51 15.56 0.05 OUTLIER 'Trans proline' 0 CA--C 1.536 0.59 1 C-N-CA 125.637 4.225 . . . . 0.0 115.237 -178.629 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 60.48 58.7 12.57 Favored Glycine 0 C--N 1.337 0.626 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 -177.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -70.44 -8.75 24.35 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 123.998 3.132 . . . . 0.0 112.03 -173.774 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -130.17 157.8 41.44 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.295 0.569 . . . . 0.0 111.385 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -146.86 155.71 42.54 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.66 1.184 . . . . 0.0 107.951 176.342 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 6.4 t -127.29 147.38 50.24 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -124.64 71.91 1.18 Allowed 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.2 0.6 . . . . 0.0 110.026 -177.577 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -130.21 178.08 6.84 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.754 179.286 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 10.2 pm0 -86.97 2.27 50.02 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 122.668 0.387 . . . . 0.0 111.54 177.596 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 32.8 m -120.48 -21.36 4.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-N 118.089 0.404 . . . . 0.0 111.496 175.309 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 8.2 p -140.07 136.56 33.76 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.311 0.505 . . . . 0.0 110.335 174.231 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -151.01 35.1 0.59 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.382 -175.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -130.91 176.55 8.14 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 122.993 0.517 . . . . 0.0 110.782 -175.384 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -85.95 149.59 25.09 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.796 178.037 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -147.49 174.33 11.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.771 0.828 . . . . 0.0 109.973 -178.168 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 27.1 p -127.6 177.05 7.04 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.929 1.292 . . . . 0.0 108.167 175.267 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -58.84 -31.44 68.5 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.904 -0.497 . . . . 0.0 111.358 -174.289 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 57.9 m -72.08 -55.18 7.79 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 117.601 0.182 . . . . 0.0 111.472 -176.891 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 460' ' ' CYS . . . . . 0.543 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 13.9 p -81.75 -19.74 40.74 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 -174.89 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -61.41 -45.46 94.22 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 171.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -75.78 -15.06 60.31 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 119.408 -0.33 . . . . 0.0 111.736 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 463' ' ' TRP . . . . . 0.4 ' CD2' ' HA ' ' A' ' 460' ' ' CYS . 53.7 m0 -73.14 -23.07 60.42 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.812 0.733 . . . . 0.0 111.321 175.41 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -121.63 -21.0 6.32 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -179.767 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -100.79 10.79 40.7 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.871 0.759 . . . . 0.0 112.479 -178.192 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 16.8 t -100.34 10.81 40.68 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 122.658 0.383 . . . . 0.0 111.118 178.016 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.4 ptp -115.2 159.89 20.39 Favored 'General case' 0 C--O 1.227 -0.089 0 C-N-CA 123.321 0.648 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -60.55 -18.65 53.83 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.406 0.682 . . . . 0.0 112.378 -174.293 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -82.89 -14.94 74.05 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 119.026 -0.875 . . . . 0.0 113.797 -177.085 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.1 mp -142.11 5.96 1.72 Allowed 'General case' 0 C--N 1.342 0.241 0 CA-C-N 118.798 1.299 . . . . 0.0 113.474 -178.321 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -67.3 -3.35 7.77 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 119.064 0.847 . . . . 0.0 112.59 -177.537 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -97.57 -0.67 45.42 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.973 0.909 . . . . 0.0 111.971 -178.467 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -77.47 167.31 21.86 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 121.054 0.454 . . . . 0.0 110.908 -179.549 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 49.1 m -135.07 146.95 60.54 Favored Pre-proline 0 N--CA 1.455 -0.179 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 177.206 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -69.31 157.66 60.44 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.468 2.779 . . . . 0.0 111.653 -177.261 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 15.2 tp . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.533 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.452 ' HB3' ' HA ' ' A' ' 439' ' ' SER . 2.6 mm? . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 121.187 0.518 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.511 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 23.1 t -53.05 136.24 35.74 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 169.609 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -69.37 -13.02 62.15 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -173.417 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 40.1 mm -123.24 -27.68 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 118.099 0.409 . . . . 0.0 111.431 -176.145 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.9 m -103.56 -22.04 13.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -172.888 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 439' ' ' SER . . . . . 0.452 ' HA ' ' HB3' ' A' ' 434' ' ' LEU . 20.9 p 35.27 51.59 0.61 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.142 1.377 . . . . 0.0 113.975 177.092 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 38.4 t -133.7 -26.51 1.58 Allowed 'General case' 0 CA--C 1.525 -0.019 0 C-N-CA 122.288 0.235 . . . . 0.0 111.523 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -137.2 161.65 59.92 Favored Pre-proline 0 N--CA 1.451 -0.417 0 C-N-CA 123.995 0.918 . . . . 0.0 108.672 -178.329 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -61.78 -7.43 9.29 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 124.078 3.186 . . . . 0.0 113.04 179.255 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 78.07 120.7 0.24 Allowed Glycine 0 CA--C 1.529 0.907 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -176.909 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -75.32 -10.59 20.77 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.461 2.774 . . . . 0.0 111.677 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -136.56 163.68 29.97 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-O 121.392 0.615 . . . . 0.0 111.53 -178.197 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -137.24 151.45 48.73 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.475 1.11 . . . . 0.0 108.409 176.513 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 447' ' ' CYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 14.0 t -123.5 130.84 53.28 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -179.083 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -129.71 89.72 2.87 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.546 0.738 . . . . 0.0 110.173 -173.779 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -136.75 -172.57 3.2 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.041 177.003 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -69.9 -12.31 61.52 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 122.663 0.385 . . . . 0.0 110.259 177.295 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 28.3 m -127.49 -11.88 3.79 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 123.008 0.523 . . . . 0.0 112.052 179.093 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 452' ' ' CYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 96.7 m -111.17 135.99 50.88 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.332 0.515 . . . . 0.0 110.499 178.294 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -157.95 24.54 0.26 Allowed 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 111.537 0.199 . . . . 0.0 111.537 179.611 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -137.89 171.76 13.95 Favored 'General case' 0 C--O 1.228 -0.037 0 O-C-N 121.824 -0.547 . . . . 0.0 111.521 -174.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -81.44 152.09 27.57 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.214 0.606 . . . . 0.0 111.053 178.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -149.63 176.08 10.98 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 123.892 0.877 . . . . 0.0 109.819 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 23.1 p -131.05 174.24 10.21 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.443 1.097 . . . . 0.0 108.825 175.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -57.79 -37.56 73.94 Favored 'General case' 0 N--CA 1.461 0.081 0 O-C-N 122.088 -0.383 . . . . 0.0 111.976 -172.319 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 74.8 m -66.91 -49.69 64.79 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -176.475 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 460' ' ' CYS . . . . . 0.511 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 25.3 p -87.57 -15.68 36.73 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -175.554 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -61.4 -41.21 96.77 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 171.827 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -74.96 -29.51 60.94 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.826 177.828 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -69.1 -10.1 55.94 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.624 -0.673 . . . . 0.0 111.177 176.502 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -122.44 -4.82 8.8 Favored 'General case' 0 C--N 1.34 0.169 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 179.218 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -141.29 2.93 1.71 Allowed 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -175.26 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 47.6 t -72.95 -23.88 60.73 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 118.769 0.713 . . . . 0.0 111.482 -178.627 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.88 158.08 18.8 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.964 0.412 . . . . 0.0 110.311 178.826 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.98 -2.01 13.93 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -176.391 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -73.98 -27.94 65.59 Favored Glycine 0 CA--C 1.524 0.632 0 CA-C-O 119.05 -0.861 . . . . 0.0 112.28 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 91.6 mt -137.24 22.13 2.99 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 118.278 1.039 . . . . 0.0 111.542 -178.573 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -68.72 -1.84 7.89 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -177.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 53.9 p-80 -87.52 -3.98 58.99 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.23 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -77.33 156.06 31.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.968 0.349 . . . . 0.0 110.778 178.367 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . 0.422 ' HA ' ' HD3' ' A' ' 475' ' ' PRO . 65.8 m -137.6 141.63 34.04 Favored Pre-proline 0 N--CA 1.456 -0.162 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 176.409 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 475' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 474' ' ' SER . 32.9 Cg_exo -62.62 142.59 90.3 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 123.065 2.51 . . . . 0.0 113.204 -177.035 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.456 -0.138 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 169.966 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' A' ' 439' ' ' SER . 32.4 tp . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.515 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 37.8 t -58.14 143.38 44.14 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.226 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -106.48 2.81 26.57 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -174.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 51.8 mm -109.68 -25.73 3.48 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-N 117.957 0.344 . . . . 0.0 110.38 178.599 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.447 ' SG ' ' SG ' ' A' ' 457' ' ' CYS . 7.8 p -145.3 -20.47 0.48 Allowed 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -177.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 439' ' ' SER . . . . . 0.459 ' HB2' HD21 ' A' ' 434' ' ' LEU . 6.8 p 46.25 25.95 0.41 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 65.0 m -95.37 -7.76 37.58 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 122.037 -0.414 . . . . 0.0 111.626 -179.174 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -134.18 160.87 66.85 Favored Pre-proline 0 N--CA 1.454 -0.267 0 C-N-CA 124.178 0.991 . . . . 0.0 108.469 177.045 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -59.35 1.5 0.35 Allowed 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 124.915 3.743 . . . . 0.0 115.354 -173.308 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 66.84 56.85 11.07 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 -177.308 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -72.36 -8.7 23.13 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 124.005 3.136 . . . . 0.0 112.076 -173.567 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -127.47 155.07 44.29 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.046 0.45 . . . . 0.0 111.927 -177.708 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -148.22 151.48 35.56 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.995 0.918 . . . . 0.0 108.81 176.758 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 447' ' ' CYS . . . . . 0.485 ' HG ' ' HG ' ' A' ' 452' ' ' CYS . 6.9 t -129.56 156.34 44.33 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.523 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 17.9 ptm180 -114.96 5.23 14.98 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -169.514 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -86.96 159.19 19.09 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 118.427 0.558 . . . . 0.0 111.205 178.85 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -71.31 -4.94 28.74 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.838 0.455 . . . . 0.0 111.865 -175.575 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 35.5 m -106.11 -5.65 10.03 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 C-N-CA 122.821 0.448 . . . . 0.0 111.644 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 452' ' ' CYS . . . . . 0.485 ' HG ' ' HG ' ' A' ' 447' ' ' CYS . 6.9 p -153.44 42.51 0.57 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.914 0.486 . . . . 0.0 110.548 178.585 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -71.48 31.0 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.478 1.111 . . . . 0.0 113.171 -177.768 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -128.5 177.62 6.87 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.595 0.758 . . . . 0.0 111.296 -174.367 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -88.44 151.33 22.63 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.724 0.41 . . . . 0.0 110.437 175.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -146.4 172.92 12.78 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.488 0.661 . . . . 0.0 110.763 -177.134 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . 0.447 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 13.6 p -131.03 179.07 6.22 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.216 1.406 . . . . 0.0 107.598 174.165 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -57.91 -34.15 69.52 Favored 'General case' 0 CA--C 1.529 0.136 0 O-C-N 121.631 -0.668 . . . . 0.0 112.029 -171.608 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 69.6 m -71.81 -46.87 56.71 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -175.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 460' ' ' CYS . . . . . 0.529 ' HA ' ' HB3' ' A' ' 463' ' ' TRP . 8.3 p -90.56 -16.69 28.32 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 122.225 0.21 . . . . 0.0 111.561 -175.529 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -67.21 -46.66 73.2 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 173.333 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -72.53 -25.63 61.45 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.21 178.797 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 463' ' ' TRP . . . . . 0.529 ' HB3' ' HA ' ' A' ' 460' ' ' CYS . 72.7 t90 -67.84 -19.2 65.02 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 122.251 -0.281 . . . . 0.0 111.002 176.186 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.1 tpp85 -112.96 -21.31 11.18 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -120.02 1.77 10.92 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -173.533 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . 0.454 ' HA ' ' HE ' ' A' ' 471' ' ' ARG . 8.2 t -100.11 7.65 44.46 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.964 0.802 . . . . 0.0 111.975 179.518 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 23.1 ptp -87.33 17.46 4.4 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 122.986 0.514 . . . . 0.0 111.66 178.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 61.66 -8.49 0.09 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.895 1.678 . . . . 0.0 113.97 179.783 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -84.22 -22.81 53.68 Favored Glycine 0 CA--C 1.523 0.568 0 CA-C-O 119.252 -0.749 . . . . 0.0 112.658 -179.027 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 78.5 mt -126.27 22.31 7.19 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 118.057 0.928 . . . . 0.0 111.691 -177.026 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 471' ' ' ARG . . . . . 0.454 ' HE ' ' HA ' ' A' ' 466' ' ' SER . 21.8 mmt85 -67.38 -2.03 5.61 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 121.844 -0.535 . . . . 0.0 112.396 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -89.93 -3.69 57.9 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.006 0.522 . . . . 0.0 111.758 177.839 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 43.1 m170 -79.39 165.23 23.33 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.769 0.427 . . . . 0.0 110.63 177.624 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 40.8 t -141.16 137.63 17.0 Favored Pre-proline 0 N--CA 1.453 -0.29 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 175.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -73.35 141.67 32.29 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 122.996 2.464 . . . . 0.0 111.899 -176.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 N--CA 1.454 -0.233 0 C-N-CA 123.908 0.883 . . . . 0.0 109.062 174.611 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 439' ' ' SER . 29.1 tp . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.525 ' SG ' ' SG ' ' A' ' 460' ' ' CYS . 38.5 t -55.76 140.77 40.81 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 176.908 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -99.87 -9.8 22.47 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -172.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 38.8 mm -100.08 -25.79 3.81 Favored 'Isoleucine or valine' 0 C--O 1.23 0.057 0 CA-C-N 117.958 0.344 . . . . 0.0 110.887 -178.087 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.459 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 12.4 p -144.18 -18.08 0.57 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -176.362 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 439' ' ' SER . . . . . 0.422 ' HB2' HD21 ' A' ' 434' ' ' LEU . 7.3 p 43.97 27.18 0.17 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.586 1.154 . . . . 0.0 113.588 178.748 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 68.7 m -96.72 -6.33 36.62 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.866 0.466 . . . . 0.0 112.002 -178.483 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -135.97 159.51 70.84 Favored Pre-proline 0 N--CA 1.454 -0.228 0 C-N-CA 124.32 1.048 . . . . 0.0 108.678 176.26 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -60.87 3.55 0.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 125.085 3.856 . . . . 0.0 115.247 -173.532 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 69.38 58.81 6.21 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.026 -1.229 . . . . 0.0 110.026 -176.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -70.54 -8.88 24.63 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 123.853 3.036 . . . . 0.0 112.246 -174.307 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -133.45 159.29 40.78 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.128 0.49 . . . . 0.0 112.048 -179.19 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -140.25 157.13 46.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.53 1.132 . . . . 0.0 108.207 173.49 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 447' ' ' CYS . . . . . 0.47 ' HG ' ' CB ' ' A' ' 452' ' ' CYS . 21.5 t -136.73 133.39 36.02 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -178.728 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -125.82 87.56 2.71 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.684 0.794 . . . . 0.0 109.799 -174.905 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -136.14 -179.42 5.66 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.201 178.859 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -70.87 -2.72 15.9 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 122.235 -0.291 . . . . 0.0 111.338 176.239 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 17.1 m -134.45 -2.45 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 123.994 0.918 . . . . 0.0 111.465 176.072 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 452' ' ' CYS . . . . . 0.47 ' CB ' ' HG ' ' A' ' 447' ' ' CYS . 89.3 m -121.6 135.02 55.01 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 118.264 0.484 . . . . 0.0 110.838 177.574 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 453' ' ' PHE . . . . . 0.432 ' CZ ' ' HE3' ' A' ' 454' ' ' LYS . 39.9 p90 -158.26 25.42 0.25 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.498 0.319 . . . . 0.0 111.069 179.281 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . 0.432 ' HE3' ' CZ ' ' A' ' 453' ' ' PHE . 98.0 mttt -133.37 167.61 20.11 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 122.8 0.44 . . . . 0.0 112.081 -172.144 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -85.91 150.58 24.41 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.623 172.629 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -147.67 172.07 14.64 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.205 0.602 . . . . 0.0 110.713 -177.474 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 457' ' ' CYS . . . . . 0.451 ' SG ' ' SG ' ' A' ' 438' ' ' CYS . 20.8 p -128.0 173.49 10.0 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.96 1.304 . . . . 0.0 107.698 173.451 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 53.4 ptt85 -60.01 -27.04 66.55 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.5 -0.75 . . . . 0.0 112.347 -171.692 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 19.4 t -74.95 -52.57 10.84 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 117.852 0.297 . . . . 0.0 111.006 -175.587 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 460' ' ' CYS . . . . . 0.525 ' SG ' ' SG ' ' A' ' 435' ' ' CYS . 14.1 p -82.0 -17.28 47.43 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 122.267 0.227 . . . . 0.0 111.236 -178.734 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -62.69 -42.04 99.43 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 172.332 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -73.11 -24.45 60.63 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.996 178.32 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.0 m0 -72.44 -14.72 61.76 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.616 0.643 . . . . 0.0 111.478 175.594 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -123.77 -4.97 8.09 Favored 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -176.253 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -133.08 6.9 3.94 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -176.504 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 56.0 m -101.1 7.19 43.4 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-N 118.15 0.432 . . . . 0.0 111.147 175.304 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.5 ptp -103.39 158.14 16.55 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.084 0.553 . . . . 0.0 110.16 177.513 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -64.86 -11.33 36.26 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -174.01 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -87.71 -16.34 60.11 Favored Glycine 0 CA--C 1.528 0.858 0 CA-C-O 118.898 -0.946 . . . . 0.0 113.311 -178.043 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 4.3 mp -142.16 15.55 2.06 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.681 1.241 . . . . 0.0 112.646 -177.447 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 16.02 0.09 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -177.328 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -124.11 4.43 8.58 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.87 0.868 . . . . 0.0 112.077 -174.447 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -82.28 166.21 19.73 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 121.259 0.552 . . . . 0.0 111.311 179.782 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 77.7 p -140.2 152.27 66.74 Favored Pre-proline 0 C--O 1.233 0.222 0 C-N-CA 124.158 0.983 . . . . 0.0 109.25 177.564 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -64.71 148.17 90.11 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 123.392 2.728 . . . . 0.0 111.132 -176.469 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 52.7 tp . . . . . 0 CA--C 1.53 0.18 0 C-N-CA 123.958 0.903 . . . . 0.0 109.166 -177.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 18.3 tt . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -80.9 151.35 70.54 Favored Pre-proline 0 N--CA 1.452 -0.346 0 C-N-CA 123.009 0.523 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -72.74 167.93 25.88 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 123.987 3.124 . . . . 0.0 111.562 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -133.78 162.09 32.93 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.563 0.745 . . . . 0.0 110.303 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 39.0 tp -68.47 -11.81 60.32 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.228 0.211 . . . . 0.0 110.929 -178.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -87.07 -0.13 56.16 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.806 0.442 . . . . 0.0 111.416 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -137.62 -11.91 1.56 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.698 0.399 . . . . 0.0 111.596 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 87.7 p -111.34 11.43 21.6 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.156 0.582 . . . . 0.0 111.716 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 13.4 tp -67.86 171.28 6.81 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.636 1.175 . . . . 0.0 108.854 174.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 73.4 m -56.39 137.53 52.63 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 171.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -93.57 2.01 56.52 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 15.6 mm -120.61 -35.63 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.202 0 CA-C-O 119.528 -0.272 . . . . 0.0 111.088 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 31.0 p -115.26 -24.47 8.45 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 12.9 p 39.89 33.8 0.15 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.813 1.245 . . . . 0.0 113.216 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 69.9 m -115.92 -3.47 12.15 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.931 0.492 . . . . 0.0 111.769 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -134.76 158.02 75.92 Favored Pre-proline 0 N--CA 1.453 -0.291 0 C-N-CA 123.412 0.685 . . . . 0.0 109.49 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -61.83 -2.17 2.64 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 124.71 3.607 . . . . 0.0 114.52 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 66.51 60.07 6.6 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 109.962 -1.255 . . . . 0.0 109.962 -174.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -72.76 -8.46 22.44 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 124.136 3.224 . . . . 0.0 112.299 -173.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -129.55 163.37 26.12 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.785 0.434 . . . . 0.0 111.059 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -141.26 147.4 38.19 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.23 0.612 . . . . 0.0 109.564 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 17.4 t -111.33 128.43 55.95 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -90.17 -11.88 39.83 Favored 'General case' 0 CA--C 1.527 0.066 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -170.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.7 154.27 40.78 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.95 -0.468 . . . . 0.0 111.023 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -72.71 -9.38 58.57 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.923 0.489 . . . . 0.0 112.142 -173.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 23.3 m -99.0 -4.28 9.46 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 C-N-CA 122.337 0.255 . . . . 0.0 111.222 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 62.9 m -118.13 -67.07 1.02 Allowed 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 20.4 t80 45.57 31.32 0.91 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.633 1.573 . . . . 0.0 114.637 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -141.71 169.82 16.88 Favored 'General case' 0 C--O 1.231 0.12 0 O-C-N 121.909 -0.494 . . . . 0.0 111.443 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -83.09 147.97 27.79 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -149.12 168.66 22.59 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.369 0.604 . . . . 0.0 110.879 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 28.7 p -122.18 -178.26 3.82 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 172.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -59.35 -28.94 67.3 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.528 0.604 . . . . 0.0 111.089 -176.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 71.3 m -76.17 -56.54 4.55 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 122.756 0.423 . . . . 0.0 111.556 -177.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 7.7 p -79.15 -13.94 59.41 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 -175.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -69.31 -43.0 74.67 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 169.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -70.33 -17.22 63.06 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.93 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 54.7 m0 -83.74 -23.87 31.41 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.566 0.621 . . . . 0.0 112.117 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -97.41 -5.19 36.81 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.607 0.639 . . . . 0.0 111.709 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -130.83 21.71 4.99 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 117.756 0.253 . . . . 0.0 111.002 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 37.0 t -65.7 -33.88 76.9 Favored 'General case' 0 C--N 1.338 0.084 0 C-N-CA 123.082 0.553 . . . . 0.0 111.171 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 18.3 ptt? -88.45 159.33 18.03 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.944 0.498 . . . . 0.0 110.988 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -72.13 -14.5 61.85 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.1 0.56 . . . . 0.0 111.465 -175.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -72.96 -18.24 78.97 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 118.968 -0.907 . . . . 0.0 114.034 -174.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 64.7 mt -122.87 19.42 10.14 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-N 118.571 1.185 . . . . 0.0 112.431 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 29.3 mmt85 -72.4 -2.4 19.21 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 122.075 -0.39 . . . . 0.0 111.81 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -87.87 -4.01 58.89 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.964 0.506 . . . . 0.0 111.52 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -75.77 157.73 33.12 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 70.0 m -137.45 137.42 22.18 Favored Pre-proline 0 N--CA 1.455 -0.183 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -75.39 140.59 24.59 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 123.025 2.484 . . . . 0.0 111.03 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 10.6 mp -95.33 149.92 20.82 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 173.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 91.2 mtp -86.39 160.76 18.96 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.818 -0.174 . . . . 0.0 111.149 -177.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -130.62 -10.88 3.98 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.056 0.542 . . . . 0.0 111.164 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -149.98 153.96 37.45 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -144.14 162.52 36.1 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.299 0.64 . . . . 0.0 110.467 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -75.46 151.36 38.07 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 122.724 0.41 . . . . 0.0 110.241 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -69.72 156.01 39.64 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 122.735 0.414 . . . . 0.0 110.196 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -82.13 6.59 15.96 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.221 0.608 . . . . 0.0 111.837 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -142.07 155.29 45.38 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.864 0.866 . . . . 0.0 109.894 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 25.2 m -138.18 10.65 2.79 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.824 0.85 . . . . 0.0 111.018 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 46.0 m . . . . . 0 C--O 1.254 1.299 0 CA-C-O 117.685 -1.15 . . . . 0.0 110.927 -178.934 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 34.9 pt . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 120.867 0.365 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -139.16 155.45 72.56 Favored Pre-proline 0 CA--C 1.532 0.261 0 C-N-CA 123.697 0.799 . . . . 0.0 109.523 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -66.22 -5.42 12.43 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 123.497 2.798 . . . . 0.0 112.476 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -88.65 -9.02 53.58 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 122.568 0.347 . . . . 0.0 111.035 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 0.428 ' HG ' ' H ' ' A' ' 432' ' ' ASP . 43.4 tp -84.8 150.52 24.99 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.104 0.561 . . . . 0.0 110.18 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -68.82 -14.18 62.87 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -177.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . 0.428 ' H ' ' HG ' ' A' ' 430' ' ' LEU . 38.7 t70 -88.49 -11.28 46.29 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.629 0.372 . . . . 0.0 110.971 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 51.2 m -113.2 -1.63 14.29 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.198 0.599 . . . . 0.0 110.476 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 9.6 tp -68.45 163.13 24.0 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 175.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 37.0 t -56.77 128.4 36.37 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 175.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -82.89 -0.39 48.08 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -174.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 37.1 mm -121.81 -25.02 2.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 118.014 0.37 . . . . 0.0 110.581 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 12.2 m -119.26 -29.38 5.2 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 122.349 0.26 . . . . 0.0 111.286 -174.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 15.0 p 39.65 35.43 0.2 Allowed 'General case' 0 C--N 1.34 0.184 0 C-N-CA 124.692 1.197 . . . . 0.0 113.077 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 72.3 m -123.02 -2.88 8.62 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.339 0.656 . . . . 0.0 111.192 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -134.0 158.04 76.29 Favored Pre-proline 0 N--CA 1.455 -0.178 0 C-N-CA 123.906 0.882 . . . . 0.0 109.321 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -63.82 5.39 0.37 Allowed 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 125.004 3.803 . . . . 0.0 114.504 -176.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 68.51 63.02 3.74 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 -175.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.58 -9.61 26.58 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 123.921 3.081 . . . . 0.0 111.986 -174.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -132.64 157.41 44.88 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 110.964 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -139.23 154.08 47.94 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.131 0.972 . . . . 0.0 108.545 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' CYS . . . . . 0.452 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 29.9 t -131.75 133.18 44.51 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -126.57 82.99 2.12 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.594 0.758 . . . . 0.0 109.923 -173.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -132.73 -179.71 5.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.034 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -73.29 -1.72 19.08 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.305 -0.247 . . . . 0.0 111.318 176.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 33.7 m -134.81 -2.96 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 C-N-CA 123.052 0.541 . . . . 0.0 111.755 174.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' CYS . . . . . 0.452 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 84.1 m -120.95 133.64 55.28 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.189 0.449 . . . . 0.0 110.279 176.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -157.14 27.82 0.3 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.275 0.23 . . . . 0.0 111.225 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -133.79 167.3 20.8 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 122.917 0.487 . . . . 0.0 111.703 -174.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -88.24 150.76 23.09 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.859 175.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -147.31 170.64 16.89 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.286 0.634 . . . . 0.0 110.578 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 26.4 p -116.02 176.54 5.05 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.805 1.242 . . . . 0.0 108.117 174.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -60.06 -35.37 74.98 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 121.556 -0.715 . . . . 0.0 111.574 -174.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 75.6 m -67.67 -48.61 66.14 Favored 'General case' 0 N--CA 1.458 -0.061 0 C-N-CA 122.251 0.22 . . . . 0.0 111.292 -175.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 24.6 p -88.48 -14.7 37.21 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 111.392 0.145 . . . . 0.0 111.392 -175.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 43.0 t-105 -62.01 -40.42 95.63 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 170.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -75.7 -27.99 58.45 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.769 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 44.9 m0 -70.25 -13.34 62.13 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 118.724 0.693 . . . . 0.0 111.33 176.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -115.99 -13.49 11.26 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 123.116 0.566 . . . . 0.0 112.007 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -134.76 1.37 3.05 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -173.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 26.8 t -80.63 -16.51 53.89 Favored 'General case' 0 CA--C 1.527 0.072 0 CA-C-N 119.224 0.92 . . . . 0.0 109.996 175.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.2 ptp -69.54 156.46 38.86 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.043 0.537 . . . . 0.0 110.217 177.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.38 -4.99 39.76 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -90.13 -29.47 14.88 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-O 118.772 -1.016 . . . . 0.0 113.445 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 66.9 mt -128.45 11.17 6.29 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 118.538 1.169 . . . . 0.0 113.074 -172.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -71.97 7.11 1.73 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -94.06 -2.45 52.88 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.544 0.738 . . . . 0.0 111.532 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 55.3 m170 -75.34 161.2 29.49 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.673 0.389 . . . . 0.0 110.544 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 55.4 m -129.67 146.67 62.16 Favored Pre-proline 0 N--CA 1.456 -0.166 0 C-N-CA 123.169 0.588 . . . . 0.0 109.637 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.7 151.1 69.31 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 123.603 2.869 . . . . 0.0 111.49 -176.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 90.9 mt -138.38 156.21 47.81 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.649 1.18 . . . . 0.0 109.007 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 89.0 mtp -137.47 5.21 2.68 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.679 0.392 . . . . 0.0 111.815 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 61.4 ttp85 55.72 12.78 0.89 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.14 0.976 . . . . 0.0 112.696 -177.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -144.03 162.6 35.81 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.634 0.774 . . . . 0.0 109.734 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -147.58 164.53 33.17 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 122.994 0.517 . . . . 0.0 110.551 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -139.43 166.14 25.37 Favored 'General case' 0 C--O 1.231 0.094 0 C-N-CA 123.488 0.715 . . . . 0.0 110.429 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 54.7 p30 -144.92 -173.61 4.12 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.493 0.717 . . . . 0.0 110.116 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 45.2 tpt85 -68.34 -6.89 26.7 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.014 0.526 . . . . 0.0 111.878 -178.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -105.86 7.06 32.08 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.075 0.55 . . . . 0.0 111.998 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 89.7 p -141.38 167.15 22.86 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.752 0.421 . . . . 0.0 111.231 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.576 -1.202 . . . . 0.0 110.39 -178.533 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 41.1 pt . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 110.704 -0.11 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -71.95 162.88 71.05 Favored Pre-proline 0 CA--C 1.535 0.37 0 C-N-CA 122.775 0.43 . . . . 0.0 110.395 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -58.36 -11.34 10.63 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 123.897 3.065 . . . . 0.0 113.592 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -144.83 130.0 18.58 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.376 0.67 . . . . 0.0 109.623 178.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 56.4 tp -161.28 142.12 11.24 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.251 0.62 . . . . 0.0 109.688 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -144.95 157.71 44.05 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 123.299 0.64 . . . . 0.0 110.08 175.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -79.65 154.89 28.34 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 122.603 0.361 . . . . 0.0 110.534 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 48.1 m -92.94 -9.61 39.39 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -176.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 439' ' ' SER . 2.6 mm? -97.57 177.25 5.57 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 14.3 t -58.08 136.22 57.14 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 169.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -81.31 4.11 21.76 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -174.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 33.6 mm -123.61 -26.62 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 C-N-CA 122.922 0.489 . . . . 0.0 110.274 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 24.5 m -111.51 -27.09 8.74 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' SER . . . . . 0.45 ' HA ' ' HB3' ' A' ' 434' ' ' LEU . 20.8 p 39.95 41.89 0.97 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.556 1.142 . . . . 0.0 113.578 179.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 66.2 m -131.75 -9.9 3.53 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.134 0.574 . . . . 0.0 112.008 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -153.87 155.23 31.08 Favored Pre-proline 0 N--CA 1.455 -0.218 0 C-N-CA 123.329 0.652 . . . . 0.0 109.509 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -68.71 105.21 1.27 Allowed 'Trans proline' 0 N--CA 1.448 -1.172 0 C-N-CA 122.567 2.178 . . . . 0.0 108.633 173.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -48.97 116.96 3.72 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -178.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -79.13 -8.12 15.29 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 123.919 3.08 . . . . 0.0 111.577 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -130.53 160.27 34.62 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 121.217 0.532 . . . . 0.0 111.947 -176.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -138.36 149.28 45.43 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.593 1.157 . . . . 0.0 108.025 175.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 21.7 t -120.86 127.77 52.21 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -123.91 88.58 2.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.779 0.832 . . . . 0.0 109.684 -174.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -136.71 -172.9 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.952 0.501 . . . . 0.0 110.876 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -72.38 -10.79 60.24 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.014 -0.429 . . . . 0.0 110.397 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 33.0 m -128.12 -11.64 3.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 122.997 0.519 . . . . 0.0 112.334 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 81.6 m -110.91 134.04 52.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 118.186 0.448 . . . . 0.0 110.317 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -150.98 18.22 0.77 Allowed 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.58 169.56 16.81 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 118.949 0.795 . . . . 0.0 112.004 -170.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -85.61 149.04 25.62 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.037 0.535 . . . . 0.0 109.985 174.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -147.45 177.49 9.2 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.337 0.655 . . . . 0.0 110.944 -175.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 24.4 p -130.17 175.44 8.91 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.088 1.355 . . . . 0.0 108.2 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -59.67 -33.42 71.54 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 121.816 -0.553 . . . . 0.0 111.586 -173.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 72.9 m -67.8 -50.49 56.58 Favored 'General case' 0 C--O 1.233 0.202 0 O-C-N 122.293 -0.254 . . . . 0.0 111.181 -176.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 19.0 p -86.38 -16.75 36.35 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -175.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -63.02 -39.57 95.14 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 172.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -77.42 -24.7 50.36 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 117.926 0.33 . . . . 0.0 110.97 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 49.4 m0 -69.99 -15.37 63.02 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.865 0.757 . . . . 0.0 111.534 176.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -113.26 -28.36 7.64 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 176.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -110.37 6.28 22.19 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -172.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 40.7 t -79.04 -15.86 57.64 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.677 0.671 . . . . 0.0 110.351 174.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.5 ptp -74.45 150.85 39.74 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 176.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.29 -7.39 52.62 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -175.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -84.69 -19.22 60.26 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.08 -0.845 . . . . 0.0 113.663 -177.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 77.7 mt -125.85 21.54 7.58 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.57 1.185 . . . . 0.0 112.405 -174.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -68.6 -3.56 12.25 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.286 0.493 . . . . 0.0 112.143 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -89.79 -4.15 57.78 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.218 0.607 . . . . 0.0 112.074 -178.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -77.18 152.22 34.9 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.219 0.463 . . . . 0.0 110.422 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 54.6 m -140.6 148.45 53.24 Favored Pre-proline 0 N--CA 1.455 -0.203 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.65 154.71 24.4 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.254 2.636 . . . . 0.0 112.921 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 43.1 tp -137.49 154.99 49.78 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.036 0.934 . . . . 0.0 108.803 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 27.8 ttt -140.91 160.14 40.7 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.953 0.501 . . . . 0.0 110.042 -177.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 21.5 tpp85 -61.09 -17.55 53.2 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.819 0.848 . . . . 0.0 111.851 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -89.08 7.37 35.31 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.114 0.566 . . . . 0.0 111.606 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -133.86 162.7 31.29 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 123.577 0.751 . . . . 0.0 110.937 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -130.75 6.74 4.73 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 123.268 0.627 . . . . 0.0 111.631 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -144.57 158.94 43.54 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.271 0.629 . . . . 0.0 109.354 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -115.21 157.25 23.96 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.308 0.643 . . . . 0.0 110.593 -175.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -92.5 164.19 13.55 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.108 0.563 . . . . 0.0 109.482 174.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 69.5 m -146.01 165.49 28.86 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 122.852 0.461 . . . . 0.0 110.987 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 79.4 p . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.186 179.892 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 37.4 pt . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 120.622 0.248 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -139.19 162.23 53.19 Favored Pre-proline 0 CA--C 1.531 0.232 0 C-N-CA 123.148 0.579 . . . . 0.0 109.976 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -55.05 154.24 22.96 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.512 2.808 . . . . 0.0 112.346 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 55.04 20.01 3.03 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.961 0.904 . . . . 0.0 113.312 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 50.8 tp -146.09 158.23 43.87 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.326 0.651 . . . . 0.0 109.376 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -144.8 158.03 43.94 Favored 'General case' 0 C--O 1.23 0.057 0 C-N-CA 123.085 0.554 . . . . 0.0 110.718 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -157.97 160.57 37.67 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 122.574 0.35 . . . . 0.0 110.219 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 37.6 m -78.43 -8.43 58.48 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 122.886 0.474 . . . . 0.0 111.992 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.7 tp -52.43 153.94 2.74 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.828 0.851 . . . . 0.0 110.869 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 34.0 t -57.75 130.51 46.74 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 173.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -83.31 5.07 24.5 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -174.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 33.0 mm -124.81 -25.74 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 123.11 0.564 . . . . 0.0 110.44 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 24.3 m -118.83 -27.48 5.8 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.657 0.383 . . . . 0.0 111.922 -172.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 16.3 p 40.5 36.54 0.37 Allowed 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.023 1.329 . . . . 0.0 114.466 176.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 74.2 m -121.81 -0.75 9.54 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 123.117 0.567 . . . . 0.0 111.735 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -146.82 154.58 47.65 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 124.491 1.117 . . . . 0.0 109.224 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -69.85 18.93 0.19 Allowed 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 124.723 3.616 . . . . 0.0 113.525 -177.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 68.04 84.35 0.12 Allowed Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -71.32 -11.06 28.15 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 123.345 2.697 . . . . 0.0 111.149 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -139.69 160.44 39.87 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.322 0.582 . . . . 0.0 111.629 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -140.99 156.78 45.98 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.379 1.071 . . . . 0.0 108.224 173.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' CYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 15.4 t -135.61 137.85 42.34 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -128.34 10.46 6.26 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -169.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.07 -179.91 2.09 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.163 0.506 . . . . 0.0 111.993 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -61.2 -13.88 21.4 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -172.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 29.9 m -124.95 0.48 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 118.59 0.632 . . . . 0.0 111.794 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' CYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 80.9 m -117.7 134.29 55.06 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.778 0.431 . . . . 0.0 110.776 -178.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -150.79 20.71 0.8 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 122.974 0.509 . . . . 0.0 111.239 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -132.74 165.51 24.37 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 122.764 0.426 . . . . 0.0 111.79 -170.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -84.14 148.29 26.86 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -145.24 174.71 10.85 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.226 0.536 . . . . 0.0 110.768 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 26.5 p -129.42 177.07 7.46 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.984 1.314 . . . . 0.0 108.496 175.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -59.58 -30.8 68.91 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.916 -0.49 . . . . 0.0 111.5 -176.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 75.7 m -69.74 -58.76 3.51 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.385 0.274 . . . . 0.0 111.35 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 12.3 p -77.19 -21.59 53.72 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -174.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 23.8 t-105 -60.01 -48.19 82.74 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 172.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -77.6 -6.49 53.91 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.9 m0 -81.37 -19.31 42.95 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 118.706 -0.664 . . . . 0.0 112.086 175.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 26.0 ttp180 -128.91 -17.55 3.94 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 175.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -91.27 9.04 33.01 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.012 0.823 . . . . 0.0 111.227 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 65.6 p -85.98 -16.87 36.97 Favored 'General case' 0 C--N 1.338 0.098 0 C-N-CA 122.99 0.516 . . . . 0.0 111.802 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.6 ptp -94.26 159.52 15.09 Favored 'General case' 0 C--O 1.23 0.06 0 C-N-CA 122.892 0.477 . . . . 0.0 110.669 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -73.22 -5.88 42.23 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -174.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -79.81 -13.88 81.69 Favored Glycine 0 CA--C 1.526 0.761 0 CA-C-O 119.745 -0.475 . . . . 0.0 111.951 177.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.4 mp -137.0 11.8 3.09 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.434 0.694 . . . . 0.0 112.433 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -69.92 -4.8 22.15 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 121.51 -0.744 . . . . 0.0 112.802 -176.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -100.69 2.33 41.37 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.913 0.885 . . . . 0.0 112.065 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -75.95 161.71 28.7 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 122.617 0.367 . . . . 0.0 111.275 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 71.0 m -134.06 143.54 47.7 Favored Pre-proline 0 CA--C 1.528 0.111 0 C-N-CA 123.677 0.791 . . . . 0.0 109.186 176.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -75.13 145.57 31.16 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.216 2.611 . . . . 0.0 112.024 -176.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -118.76 165.41 14.04 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.491 1.116 . . . . 0.0 108.391 173.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -146.76 161.87 39.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.804 0.441 . . . . 0.0 110.736 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 71.3 ttt-85 -149.28 156.04 41.49 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 123.563 0.745 . . . . 0.0 109.26 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -65.33 152.8 42.91 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -119.86 2.26 11.04 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.994 0.518 . . . . 0.0 111.429 -177.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -86.64 -5.97 58.99 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 122.714 0.406 . . . . 0.0 111.413 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -151.37 152.84 33.67 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.817 0.447 . . . . 0.0 109.919 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -145.7 11.08 1.24 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.382 0.673 . . . . 0.0 111.609 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -144.35 161.18 39.62 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.787 0.435 . . . . 0.0 110.901 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 46.7 m -71.06 158.49 36.39 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 122.947 0.499 . . . . 0.0 111.212 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 32.0 t . . . . . 0 C--O 1.251 1.172 0 CA-C-O 117.457 -1.258 . . . . 0.0 110.283 -179.731 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 8.0 tp . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 110.663 -0.125 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -76.43 151.23 83.05 Favored Pre-proline 0 CA--C 1.531 0.234 0 C-N-CA 122.925 0.49 . . . . 0.0 110.46 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -73.02 162.94 39.68 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.833 3.022 . . . . 0.0 111.06 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -146.08 153.13 40.37 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.26 0.624 . . . . 0.0 110.115 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 97.3 mt -140.1 160.23 40.41 Favored 'General case' 0 N--CA 1.458 -0.068 0 C-N-CA 123.669 0.788 . . . . 0.0 110.022 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -146.89 173.67 12.2 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.305 0.642 . . . . 0.0 110.495 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -134.35 156.63 48.15 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 123.463 0.705 . . . . 0.0 110.211 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 80.2 p -144.42 23.28 1.64 Allowed 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.008 0.523 . . . . 0.0 112.049 -176.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 9.6 tp -62.3 149.29 42.5 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 121.947 -0.47 . . . . 0.0 110.308 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 36.5 m -56.88 151.52 14.39 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.981 0.419 . . . . 0.0 110.738 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -86.03 -19.67 29.96 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -175.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 38.6 mm -118.8 -41.88 2.4 Favored 'Isoleucine or valine' 0 C--N 1.342 0.27 0 CA-C-N 118.373 0.533 . . . . 0.0 111.51 -177.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.5 p -95.97 -29.37 14.19 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 5.5 p 40.49 26.95 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.321 1.448 . . . . 0.0 113.845 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 64.4 m -89.0 -11.07 45.31 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.648 0.379 . . . . 0.0 111.61 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -155.51 159.91 31.28 Favored Pre-proline 0 N--CA 1.454 -0.273 0 C-N-CA 122.665 0.386 . . . . 0.0 110.284 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -69.37 105.19 1.38 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 122.442 2.095 . . . . 0.0 107.156 169.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -55.16 125.39 35.8 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 -174.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -75.97 -8.59 19.04 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.906 3.071 . . . . 0.0 111.694 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -122.77 159.16 28.62 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 121.197 0.522 . . . . 0.0 111.733 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -145.12 159.78 42.45 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.386 1.074 . . . . 0.0 108.179 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 16.0 t -130.96 146.2 52.28 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.748 0.419 . . . . 0.0 109.876 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -97.22 -2.21 43.28 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -172.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -80.92 158.87 25.12 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.321 0.509 . . . . 0.0 111.277 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -76.13 -6.78 52.79 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -174.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 34.6 m -102.1 -11.3 8.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 122.601 0.36 . . . . 0.0 111.506 -176.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 11.8 p -148.89 43.04 0.97 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.043 0.537 . . . . 0.0 110.484 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -73.84 43.02 0.15 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.909 0.883 . . . . 0.0 112.002 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -134.95 176.66 8.46 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 124.513 1.125 . . . . 0.0 110.061 -177.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -86.71 153.14 21.95 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 120.861 0.362 . . . . 0.0 110.74 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -149.13 167.71 25.19 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.299 0.64 . . . . 0.0 110.993 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 29.2 p -123.69 179.92 4.61 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.389 1.475 . . . . 0.0 107.738 173.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -58.81 -27.03 64.67 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.56 -0.712 . . . . 0.0 111.386 -176.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 70.9 m -75.63 -61.65 1.85 Allowed 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.396 0.278 . . . . 0.0 110.67 -177.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 7.1 p -74.56 -22.72 58.85 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 -174.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -64.54 -47.04 80.28 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 173.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -76.82 -4.9 45.99 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 117.887 0.312 . . . . 0.0 111.739 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 54.2 m0 -88.43 -15.23 35.99 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.347 0.522 . . . . 0.0 111.943 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -122.23 -24.77 5.0 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 176.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -94.54 14.26 21.42 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.519 0.6 . . . . 0.0 112.191 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 65.2 p -92.69 -13.44 29.4 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 123.423 0.689 . . . . 0.0 112.057 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.5 ptp -96.44 153.67 17.7 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 122.909 0.484 . . . . 0.0 110.88 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -60.2 -16.48 33.56 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -173.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -81.85 -5.68 89.6 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-O 119.217 -0.768 . . . . 0.0 112.704 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.3 mp -139.55 2.61 2.04 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.493 1.147 . . . . 0.0 113.655 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -73.89 0.13 14.29 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 119.36 0.982 . . . . 0.0 112.286 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 57.3 p-80 -100.76 4.86 43.36 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.316 0.646 . . . . 0.0 111.846 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -82.19 169.28 16.78 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.001 0.52 . . . . 0.0 111.292 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 62.6 m -135.85 144.83 50.29 Favored Pre-proline 0 C--O 1.232 0.164 0 C-N-CA 123.912 0.885 . . . . 0.0 108.985 176.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -72.45 161.19 44.93 Favored 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 123.529 2.819 . . . . 0.0 111.459 -177.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 15.4 tp -142.95 155.45 44.7 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.131 0.972 . . . . 0.0 108.542 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -144.32 166.02 26.25 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.892 0.377 . . . . 0.0 111.293 -177.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 57.6 mmm-85 -103.97 15.1 29.34 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.296 1.038 . . . . 0.0 111.711 -176.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -136.82 163.86 29.64 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.188 0.595 . . . . 0.0 110.278 -178.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -87.08 166.59 14.9 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.951 0.5 . . . . 0.0 110.977 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -73.4 162.05 29.74 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 122.71 0.404 . . . . 0.0 110.393 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -72.34 159.17 34.46 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 122.527 0.331 . . . . 0.0 110.409 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -136.98 161.56 35.71 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 123.246 0.618 . . . . 0.0 110.679 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -138.87 165.06 28.04 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 123.313 0.645 . . . . 0.0 110.419 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 37.5 m -84.7 2.42 41.95 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 122.964 0.506 . . . . 0.0 111.715 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 35.1 t . . . . . 0 C--O 1.252 1.189 0 CA-C-O 117.431 -1.271 . . . . 0.0 110.169 179.772 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 18.9 tt . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 110.526 -0.176 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -141.49 161.58 51.69 Favored Pre-proline 0 CA--C 1.531 0.244 0 C-N-CA 123.534 0.734 . . . . 0.0 110.021 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -58.81 162.99 11.94 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.937 3.092 . . . . 0.0 112.959 178.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -130.17 12.42 5.58 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.509 0.723 . . . . 0.0 110.929 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.34 -178.77 6.41 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.658 0.783 . . . . 0.0 110.804 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -128.57 11.06 6.21 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.239 0.616 . . . . 0.0 112.129 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -141.53 160.54 39.93 Favored 'General case' 0 C--N 1.339 0.114 0 C-N-CA 122.933 0.493 . . . . 0.0 110.216 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.5 m 55.36 23.18 5.47 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 123.681 0.792 . . . . 0.0 112.465 -174.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 16.5 tp -67.9 155.28 39.75 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.33 1.052 . . . . 0.0 110.369 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 48.3 t -58.58 144.71 41.94 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -93.47 -16.63 24.31 Favored 'General case' 0 N--CA 1.458 -0.07 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -171.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 35.5 mm -109.8 -19.22 7.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 CA-C-N 118.552 0.615 . . . . 0.0 111.37 -176.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 27.9 p -134.46 -25.52 1.5 Allowed 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 5.5 p 45.87 21.56 0.1 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.863 1.265 . . . . 0.0 113.316 -176.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 66.0 m -91.63 -6.49 52.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.252 0.621 . . . . 0.0 110.916 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -135.23 156.52 78.03 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 124.324 1.049 . . . . 0.0 109.217 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -79.58 19.99 0.91 Allowed 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 125.218 3.945 . . . . 0.0 113.178 -169.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 61.97 63.26 4.91 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 177.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -67.22 -10.17 27.68 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 123.937 3.091 . . . . 0.0 112.116 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -133.75 163.34 29.68 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.949 0.404 . . . . 0.0 111.369 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -146.2 151.95 38.44 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.249 1.019 . . . . 0.0 108.48 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 9.6 t -125.61 135.74 52.51 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -111.77 75.43 0.92 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.37 0.668 . . . . 0.0 111.242 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -132.74 -176.27 4.05 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.563 0.345 . . . . 0.0 111.29 176.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -93.05 -2.82 55.25 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.165 0.586 . . . . 0.0 111.325 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 17.8 m -115.71 -22.55 4.55 Favored 'Isoleucine or valine' 0 C--N 1.34 0.165 0 C-N-CA 122.735 0.414 . . . . 0.0 111.089 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 4.3 p -137.22 131.14 32.01 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 172.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -147.93 23.86 1.07 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.896 0.479 . . . . 0.0 111.733 -171.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -132.45 178.36 6.89 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.077 0.551 . . . . 0.0 110.755 -174.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -82.2 148.79 28.25 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.801 0.44 . . . . 0.0 110.754 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -149.9 161.38 42.4 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.529 0.731 . . . . 0.0 110.237 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 24.7 p -100.29 173.65 6.5 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 170.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.68 -24.72 66.94 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 121.706 -0.621 . . . . 0.0 111.701 -177.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 7.6 t -69.97 -46.74 64.58 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 109.618 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 37.4 m -82.97 -24.1 33.1 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.842 -173.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -63.21 -40.74 98.34 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -72.35 -28.87 63.31 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.191 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 53.0 m0 -72.85 -7.61 51.66 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.394 0.543 . . . . 0.0 111.516 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 88.3 mmt-85 -124.96 0.59 7.97 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -139.85 9.33 2.37 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 69.5 m -77.01 -9.94 59.04 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 119.052 0.842 . . . . 0.0 111.076 175.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.8 ptp -81.81 150.61 27.78 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 177.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -72.46 -11.94 60.89 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.362 0.265 . . . . 0.0 111.607 -176.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -82.74 -16.0 71.66 Favored Glycine 0 CA--C 1.527 0.826 0 CA-C-O 118.846 -0.974 . . . . 0.0 113.678 -176.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 68.1 mt -123.22 19.46 9.85 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 118.545 1.173 . . . . 0.0 112.518 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -72.05 0.89 8.34 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.972 -0.455 . . . . 0.0 111.892 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -93.39 -4.91 50.58 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.317 0.647 . . . . 0.0 111.915 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -74.04 159.0 33.28 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.935 0.397 . . . . 0.0 110.844 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 69.0 m -139.41 149.06 59.01 Favored Pre-proline 0 N--CA 1.455 -0.223 0 C-N-CA 123.362 0.665 . . . . 0.0 109.444 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -68.78 156.49 65.28 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 123.572 2.848 . . . . 0.0 111.097 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 24.7 tp -145.91 155.03 42.59 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 73.9 mtm -143.76 156.93 44.67 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-O 120.951 0.405 . . . . 0.0 110.786 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 80.1 mtt85 -144.48 172.54 12.82 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.228 1.011 . . . . 0.0 109.633 178.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -141.86 161.45 37.93 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -137.39 165.21 26.76 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 123.908 0.883 . . . . 0.0 109.786 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -80.74 16.87 1.27 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.571 0.748 . . . . 0.0 111.804 -176.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 52.0 p30 -132.62 11.45 4.42 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.128 0.571 . . . . 0.0 112.093 -178.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -96.39 1.62 51.92 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 122.672 0.389 . . . . 0.0 111.713 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -139.96 12.94 2.45 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.389 0.676 . . . . 0.0 111.446 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 80.7 p -144.02 168.14 20.71 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.36 0.664 . . . . 0.0 110.839 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--O 1.251 1.141 0 CA-C-O 117.261 -1.352 . . . . 0.0 110.288 -179.55 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 19.9 tt . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -141.19 153.57 66.73 Favored Pre-proline 0 C--O 1.233 0.234 0 C-N-CA 123.039 0.536 . . . . 0.0 110.002 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -74.23 -4.31 15.21 Favored 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 123.955 3.103 . . . . 0.0 111.709 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 33.9 t80 55.7 20.0 3.71 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.127 0.971 . . . . 0.0 112.743 -178.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 93.5 mt -139.47 164.56 29.54 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 124.08 0.952 . . . . 0.0 110.058 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -146.53 163.2 36.52 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.67 0.788 . . . . 0.0 110.086 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -76.33 -1.48 26.98 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -176.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 22.3 m -93.59 20.61 7.17 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 123.273 0.629 . . . . 0.0 110.963 177.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 14.4 tp -57.77 147.57 27.68 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.115 0.966 . . . . 0.0 110.03 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 54.1 t -57.29 139.59 52.39 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -87.08 -10.38 53.06 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -171.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 40.9 mm -116.39 -21.7 4.93 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-N 118.25 0.477 . . . . 0.0 111.875 -175.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 31.9 p -133.47 -21.03 2.04 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 118.305 0.502 . . . . 0.0 112.25 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 6.2 p 42.57 28.15 0.11 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.888 1.275 . . . . 0.0 113.689 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 59.0 m -87.99 -8.81 55.11 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 122.99 0.516 . . . . 0.0 111.911 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -157.26 157.2 30.22 Favored Pre-proline 0 N--CA 1.454 -0.244 0 C-N-CA 122.99 0.516 . . . . 0.0 109.842 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -66.01 106.73 1.01 Allowed 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 122.636 2.224 . . . . 0.0 107.684 171.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -51.39 116.11 4.36 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 123.556 0.598 . . . . 0.0 111.749 -175.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -77.09 -8.03 17.48 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 123.763 2.975 . . . . 0.0 111.617 177.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -123.6 157.42 33.76 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.177 0.513 . . . . 0.0 112.196 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -145.27 160.12 41.97 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.798 1.239 . . . . 0.0 108.968 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 8.8 t -134.43 154.51 51.35 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -103.82 -15.31 15.74 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -169.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.33 153.5 33.76 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.901 0.773 . . . . 0.0 110.788 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -71.78 -5.18 32.23 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 32.8 m -94.06 -11.87 8.88 Favored 'Isoleucine or valine' 0 C--N 1.341 0.204 0 CA-C-O 119.538 -0.268 . . . . 0.0 111.346 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 9.2 p -150.66 40.89 0.76 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 122.939 0.496 . . . . 0.0 110.73 178.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -74.84 52.51 0.54 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.772 0.829 . . . . 0.0 111.826 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -141.96 172.88 12.08 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 124.556 1.142 . . . . 0.0 109.929 -177.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -86.33 151.56 23.48 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.722 0.296 . . . . 0.0 110.427 177.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -147.9 167.71 24.13 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.4 0.619 . . . . 0.0 111.062 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 22.1 p -111.95 174.97 5.62 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.752 1.221 . . . . 0.0 108.71 172.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -60.01 -25.67 65.48 Favored 'General case' 0 C--O 1.232 0.179 0 O-C-N 122.0 -0.437 . . . . 0.0 111.66 -175.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 10.8 t -71.66 -52.21 19.08 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.119 0.485 . . . . 0.0 109.855 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' CYS . . . . . 0.429 ' HA ' ' HB3' ' A' ' 463' ' ' TRP . 37.1 m -77.39 -23.12 50.75 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.659 -173.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -69.39 -50.92 41.55 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -75.96 -8.74 57.65 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.745 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' TRP . . . . . 0.429 ' HB3' ' HA ' ' A' ' 460' ' ' CYS . 71.1 t90 -82.15 -21.67 36.47 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.991 0.516 . . . . 0.0 111.319 176.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 51.5 ttt85 -120.34 -17.43 8.21 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -107.65 6.27 27.64 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 23.3 t -95.11 -5.42 44.25 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-N 118.125 0.42 . . . . 0.0 111.415 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 23.8 ptp -80.15 155.99 27.19 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 122.192 -0.317 . . . . 0.0 110.598 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -78.44 71.21 4.89 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.915 0.486 . . . . 0.0 110.366 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -174.92 -25.98 0.03 OUTLIER Glycine 0 CA--C 1.529 0.912 0 CA-C-O 119.241 -0.755 . . . . 0.0 112.873 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 52.6 mt -117.2 23.2 12.0 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.168 0.984 . . . . 0.0 111.438 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -69.86 -3.49 16.03 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 123.533 0.733 . . . . 0.0 111.862 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -93.87 -2.55 53.25 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.418 0.687 . . . . 0.0 112.199 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 52.8 m170 -80.44 156.85 26.42 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 118.208 0.458 . . . . 0.0 110.348 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 64.3 m -140.69 150.8 61.35 Favored Pre-proline 0 N--CA 1.455 -0.178 0 C-N-CA 123.39 0.676 . . . . 0.0 109.186 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.76 148.98 52.56 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.6 2.867 . . . . 0.0 112.896 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 95.7 mt -141.36 165.24 28.05 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.262 1.025 . . . . 0.0 109.255 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 27.4 ttt -140.0 133.02 29.45 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -156.99 157.18 34.24 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 123.251 0.621 . . . . 0.0 109.62 -178.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 66.6 t30 55.5 21.53 4.45 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.645 0.778 . . . . 0.0 112.554 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -141.02 164.19 30.94 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.812 0.845 . . . . 0.0 110.502 -177.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -146.39 -179.11 6.52 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.161 0.984 . . . . 0.0 109.757 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -67.04 147.11 53.61 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -142.07 161.62 37.53 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.576 0.751 . . . . 0.0 110.155 -178.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -146.78 164.15 33.72 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.487 0.715 . . . . 0.0 110.336 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 28.0 t -150.53 160.97 43.41 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.021 0.529 . . . . 0.0 110.298 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 117.34 -1.314 . . . . 0.0 110.119 -179.377 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 64.7 mt . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -149.64 162.71 27.57 Favored Pre-proline 0 C--O 1.233 0.225 0 C-N-CA 123.001 0.52 . . . . 0.0 109.97 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -61.78 -7.68 9.82 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 124.284 3.323 . . . . 0.0 114.342 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 33.8 t80 56.39 17.32 2.85 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.854 0.862 . . . . 0.0 112.523 -177.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 96.5 mt -139.04 159.46 42.09 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.543 1.137 . . . . 0.0 109.858 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -141.46 161.7 37.28 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.179 0.592 . . . . 0.0 109.86 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -77.83 -17.92 56.89 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.464 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 26.0 m -95.09 -7.24 40.03 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.653 0.381 . . . . 0.0 111.682 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.407 HD21 ' HB2' ' A' ' 439' ' ' SER . 30.7 tp -67.68 150.47 48.68 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 53.4 t -55.71 133.34 50.73 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -88.42 -2.29 58.51 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -173.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 31.9 mm -117.83 -20.76 5.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 118.682 0.674 . . . . 0.0 111.296 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.0 p -137.39 -25.43 1.03 Allowed 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' SER . . . . . 0.407 ' HB2' HD21 ' A' ' 434' ' ' LEU . 6.2 p 46.22 26.27 0.43 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.294 1.038 . . . . 0.0 113.262 -178.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 67.2 m -85.97 -11.23 53.58 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -150.88 159.81 33.31 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-O 119.195 -0.431 . . . . 0.0 109.866 176.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -57.56 5.53 0.07 OUTLIER 'Trans proline' 0 CA--C 1.537 0.632 1 C-N-CA 126.11 4.54 . . . . 0.0 116.673 -171.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 65.61 72.97 0.65 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -72.57 -8.5 22.64 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.968 3.112 . . . . 0.0 111.846 -176.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -125.05 157.48 36.15 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.168 0.509 . . . . 0.0 111.515 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -142.28 145.16 33.71 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.611 0.764 . . . . 0.0 109.92 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 17.1 t -121.61 122.69 40.2 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -92.72 -11.85 32.91 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -170.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.3 153.66 37.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.11 -0.369 . . . . 0.0 111.326 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -71.24 -3.16 18.81 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 -173.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 34.1 m -106.24 -5.96 10.1 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 CA-C-N 117.969 0.35 . . . . 0.0 111.102 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 65.5 m -116.84 -65.72 1.16 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 17.9 t80 46.28 27.27 0.55 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.847 1.659 . . . . 0.0 114.454 175.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -142.4 167.01 23.11 Favored 'General case' 0 C--N 1.338 0.108 0 C-N-CA 123.25 0.62 . . . . 0.0 111.212 -177.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -89.09 150.52 22.7 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.264 0.625 . . . . 0.0 110.013 177.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -149.64 165.88 30.97 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.272 0.558 . . . . 0.0 111.106 -177.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 22.6 p -102.95 176.12 5.25 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 170.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 41.9 ptt180 -61.31 -28.18 69.01 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.706 -0.621 . . . . 0.0 111.356 -177.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 7.8 t -69.94 -48.97 56.35 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.409 0.623 . . . . 0.0 109.98 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 56.2 m -80.82 -22.97 39.51 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.905 -172.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -64.32 -40.68 96.4 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 173.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -74.29 -21.57 59.67 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.789 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 52.4 m0 -78.78 -9.0 59.3 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.448 0.567 . . . . 0.0 111.55 176.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -123.39 2.83 9.1 Favored 'General case' 0 C--N 1.338 0.099 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -139.72 14.67 2.51 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 54.6 p -75.74 -26.06 57.1 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 118.49 0.587 . . . . 0.0 111.303 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -73.56 150.68 41.3 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 30.2 mp0 -71.74 -8.66 55.56 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.295 0.238 . . . . 0.0 111.417 -177.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -80.14 -21.72 64.66 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 118.735 -1.036 . . . . 0.0 113.558 -176.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 52.3 mt -121.22 15.58 11.44 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.738 1.269 . . . . 0.0 112.68 -174.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -73.95 2.28 8.98 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.599 0.636 . . . . 0.0 112.077 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -90.22 -4.67 57.07 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.964 0.506 . . . . 0.0 111.651 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -75.03 157.66 34.48 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 122.715 0.406 . . . . 0.0 110.214 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 61.5 m -134.6 135.45 23.62 Favored Pre-proline 0 N--CA 1.456 -0.144 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 176.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -76.43 149.74 31.39 Favored 'Trans proline' 0 N--CA 1.45 -1.064 0 C-N-CA 123.198 2.599 . . . . 0.0 111.716 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 6.8 mp -112.73 149.41 33.0 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 172.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 15.0 tpt -79.42 147.87 32.17 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-O 120.718 0.294 . . . . 0.0 110.871 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -147.28 139.24 24.31 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.121 0.568 . . . . 0.0 109.815 178.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -155.59 166.31 33.91 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -118.33 8.19 12.16 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.498 0.719 . . . . 0.0 111.146 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -137.28 165.47 26.09 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.61 0.764 . . . . 0.0 110.247 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -145.62 164.43 31.73 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 123.253 0.621 . . . . 0.0 110.531 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -80.96 161.1 24.44 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 122.917 0.487 . . . . 0.0 110.382 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -150.05 155.12 39.31 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.225 0.61 . . . . 0.0 109.957 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 67.6 m -142.77 159.9 41.34 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 123.13 0.572 . . . . 0.0 110.785 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--O 1.253 1.242 0 CA-C-O 117.52 -1.228 . . . . 0.0 110.11 -179.212 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 42.5 pt . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 110.544 -0.169 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -147.77 137.29 12.06 Favored Pre-proline 0 CA--C 1.53 0.211 0 C-N-CA 122.788 0.435 . . . . 0.0 109.853 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.8 -5.97 17.49 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 124.152 3.234 . . . . 0.0 113.312 -174.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -105.42 -2.28 23.98 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.306 0.503 . . . . 0.0 111.127 177.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 95.8 mt -124.37 -5.94 7.68 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.143 0.577 . . . . 0.0 111.423 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -149.74 149.2 30.2 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 122.951 0.501 . . . . 0.0 109.949 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -151.14 154.48 37.01 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.974 0.51 . . . . 0.0 110.268 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 36.9 m -144.93 4.23 1.1 Allowed 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 123.05 0.54 . . . . 0.0 111.803 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.482 HD21 ' HB2' ' A' ' 439' ' ' SER . 31.5 tp -69.52 152.46 44.8 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.296 0.638 . . . . 0.0 109.608 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 44.1 t -58.66 137.67 57.43 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -100.2 2.86 43.29 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -171.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 33.6 mm -112.98 -23.25 4.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 118.328 0.513 . . . . 0.0 110.598 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 7.8 p -144.73 -17.39 0.53 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -176.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' SER . . . . . 0.482 ' HB2' HD21 ' A' ' 434' ' ' LEU . 8.3 p 43.78 31.01 0.43 Allowed 'General case' 0 C--N 1.343 0.322 0 C-N-CA 124.428 1.091 . . . . 0.0 113.803 176.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 13.0 t -86.85 -17.61 32.94 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.877 0.37 . . . . 0.0 111.225 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . 0.418 ' HB2' ' HD2' ' A' ' 442' ' ' PRO . 9.2 pt20 -149.99 157.09 38.04 Favored Pre-proline 0 N--CA 1.455 -0.208 0 C-N-CA 123.895 0.878 . . . . 0.0 109.195 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 441' ' ' GLN . 75.7 Cg_endo -67.71 28.93 0.13 Allowed 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 125.291 3.994 . . . . 0.0 114.713 -171.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 59.12 80.82 0.08 OUTLIER Glycine 0 CA--C 1.527 0.809 0 C-N-CA 123.722 0.677 . . . . 0.0 112.29 173.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -71.69 -9.17 24.52 Favored 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 123.562 2.841 . . . . 0.0 111.47 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -134.51 162.35 32.5 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.353 0.596 . . . . 0.0 111.85 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -140.51 156.14 46.43 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.657 1.183 . . . . 0.0 108.02 175.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 23.3 t -131.61 133.3 44.82 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -178.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -126.67 87.26 2.63 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.541 0.737 . . . . 0.0 109.964 -172.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -137.84 -177.15 4.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.302 177.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -70.68 -9.33 56.88 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 122.074 -0.391 . . . . 0.0 110.996 177.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 18.6 m -129.5 -12.71 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 C-N-CA 122.991 0.516 . . . . 0.0 111.594 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 87.1 m -111.73 128.9 56.23 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -156.45 28.79 0.34 Allowed 'General case' 0 C--O 1.232 0.133 0 C-N-CA 122.388 0.275 . . . . 0.0 111.269 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -130.67 170.17 14.66 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.155 0.582 . . . . 0.0 110.996 -176.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -85.09 149.86 25.26 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -146.21 170.88 15.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.462 0.649 . . . . 0.0 110.413 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 22.6 p -123.69 174.26 7.59 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.895 1.278 . . . . 0.0 107.797 172.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -61.55 -29.02 69.75 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.525 -0.735 . . . . 0.0 111.752 -172.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 22.7 t -73.32 -50.49 21.83 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.456 0.17 . . . . 0.0 111.149 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 18.3 p -82.59 -14.97 53.89 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 122.21 -0.306 . . . . 0.0 111.246 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 37.9 t-105 -62.02 -39.67 93.05 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 171.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -74.43 -27.69 60.72 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 119.407 -0.33 . . . . 0.0 110.75 177.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.9 m0 -68.18 -16.06 63.83 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.833 0.742 . . . . 0.0 111.7 176.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 18.6 tpp85 -112.81 -20.09 11.75 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 122.915 0.486 . . . . 0.0 111.873 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -126.66 5.62 6.76 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -172.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 36.3 t -74.46 -16.35 60.86 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.048 0.84 . . . . 0.0 109.818 174.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.9 ptp -77.07 152.53 35.02 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.935 0.494 . . . . 0.0 109.96 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -79.9 -10.31 59.76 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -178.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -75.88 -20.7 77.64 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-O 119.374 -0.681 . . . . 0.0 112.772 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 79.2 mt -125.04 23.85 7.67 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 117.799 0.799 . . . . 0.0 110.921 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -68.09 -2.16 7.31 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.19 0.596 . . . . 0.0 112.095 -177.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -95.75 -1.24 50.21 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.902 0.881 . . . . 0.0 112.256 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -77.53 157.65 30.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 118.294 0.497 . . . . 0.0 110.391 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 49.8 m -137.46 148.17 60.66 Favored Pre-proline 0 C--O 1.234 0.24 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -68.82 150.79 74.08 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 123.539 2.826 . . . . 0.0 111.497 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 88.8 mt -137.74 160.15 40.03 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.435 1.094 . . . . 0.0 108.902 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 91.6 mtp -141.02 163.67 32.35 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.93 0.492 . . . . 0.0 110.671 -177.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 93.8 mtm-85 -82.78 -1.0 50.39 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.593 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -148.69 151.48 34.99 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.263 0.625 . . . . 0.0 110.035 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -152.65 166.59 31.64 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 123.089 0.556 . . . . 0.0 110.812 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -74.88 151.31 38.97 Favored 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -141.8 154.79 45.46 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.341 0.657 . . . . 0.0 109.45 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -124.49 7.89 8.33 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -175.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -76.78 153.77 34.64 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.899 -0.5 . . . . 0.0 110.689 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 69.4 m -142.58 163.39 32.95 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 123.153 0.581 . . . . 0.0 110.606 -178.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 56.0 m . . . . . 0 C--O 1.251 1.134 0 CA-C-O 117.249 -1.358 . . . . 0.0 110.427 -179.349 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 36.1 pt . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 110.77 -0.085 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -141.44 153.12 65.4 Favored Pre-proline 0 CA--C 1.531 0.231 0 C-N-CA 123.308 0.643 . . . . 0.0 110.089 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -75.0 -5.1 16.37 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 124.005 3.137 . . . . 0.0 112.018 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -83.92 162.31 20.53 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 122.031 -0.418 . . . . 0.0 111.414 -178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 53.1 tp -147.26 150.1 34.18 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.465 0.706 . . . . 0.0 109.806 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -132.53 -1.9 3.45 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 122.86 0.464 . . . . 0.0 111.498 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -82.7 -10.23 59.01 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 122.655 0.382 . . . . 0.0 111.061 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 78.6 p -92.91 -6.21 49.1 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.23 0.612 . . . . 0.0 111.411 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' A' ' 439' ' ' SER . 40.4 tp -74.03 155.94 38.02 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.817 0.847 . . . . 0.0 108.906 178.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 35.5 t -56.64 138.59 52.21 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -94.96 -2.83 49.69 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -172.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 42.5 mm -114.62 -25.69 3.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 118.886 0.766 . . . . 0.0 111.19 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 6.4 p -142.24 -17.6 0.73 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' SER . . . . . 0.452 ' HB2' HD21 ' A' ' 434' ' ' LEU . 5.6 p 45.21 30.4 0.64 Allowed 'General case' 0 C--N 1.343 0.299 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 176.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 13.0 t -85.43 -19.0 31.98 Favored 'General case' 0 N--CA 1.457 -0.119 0 O-C-N 122.179 -0.326 . . . . 0.0 111.791 -177.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -148.83 163.11 27.14 Favored Pre-proline 0 N--CA 1.45 -0.435 0 C-N-CA 123.394 0.678 . . . . 0.0 109.818 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -56.96 8.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 1 C-N-CA 126.005 4.47 . . . . 0.0 116.695 -172.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 64.19 73.93 0.51 Allowed Glycine 0 CA--C 1.525 0.659 0 CA-C-N 119.447 1.021 . . . . 0.0 110.98 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -73.1 -8.49 22.21 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.835 3.023 . . . . 0.0 112.059 -176.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -125.32 157.75 35.91 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.191 0.519 . . . . 0.0 111.673 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -149.34 158.18 43.95 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.565 1.146 . . . . 0.0 108.203 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 9.0 t -129.24 159.76 35.1 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.223 0.465 . . . . 0.0 110.353 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 48.4 tpt85 -103.65 -17.25 15.21 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -169.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -79.3 154.82 28.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 118.874 0.761 . . . . 0.0 110.838 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -73.47 -5.24 38.79 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 32.6 m -92.74 -14.94 8.23 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 CA-C-N 117.767 0.258 . . . . 0.0 111.117 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 11.3 p -146.76 40.17 1.07 Allowed 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.966 0.506 . . . . 0.0 110.898 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -75.15 47.64 0.37 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.693 0.797 . . . . 0.0 112.083 -177.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -135.72 171.24 14.73 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.016 0.926 . . . . 0.0 110.219 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -85.74 148.57 25.79 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.982 0.42 . . . . 0.0 110.501 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -146.99 174.65 11.33 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.571 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 19.2 p -126.21 178.41 5.82 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.897 1.279 . . . . 0.0 108.376 175.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -55.48 -41.4 72.93 Favored 'General case' 0 C--O 1.231 0.106 0 O-C-N 121.813 -0.554 . . . . 0.0 111.433 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 73.0 m -66.37 -49.22 67.61 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -174.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 10.2 p -88.57 -15.73 34.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -62.59 -38.58 90.69 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 171.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -75.1 -29.67 60.69 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.545 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -70.46 -8.93 54.81 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.562 0.619 . . . . 0.0 111.426 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -123.93 -2.28 8.25 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -139.5 1.24 1.93 Allowed 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 30.3 t -80.12 -15.03 57.99 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.903 0.774 . . . . 0.0 109.908 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.8 ptp -71.87 147.06 47.49 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 176.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -67.13 -11.87 58.45 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -175.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -82.5 -20.86 61.22 Favored Glycine 0 CA--C 1.529 0.918 0 CA-C-O 118.838 -0.979 . . . . 0.0 113.877 -176.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 78.7 mt -127.15 22.01 6.68 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.676 1.238 . . . . 0.0 112.751 -173.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -71.49 -0.02 9.48 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.746 -0.596 . . . . 0.0 112.08 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 54.2 p-80 -90.19 -2.12 58.02 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.981 0.513 . . . . 0.0 111.687 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -79.65 160.3 26.4 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.932 0.493 . . . . 0.0 111.046 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 69.9 m -139.22 147.33 52.76 Favored Pre-proline 0 N--CA 1.453 -0.3 0 C-N-CA 124.09 0.956 . . . . 0.0 108.564 176.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.19 134.54 25.2 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 123.295 2.663 . . . . 0.0 111.487 -176.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 11.2 mp -108.57 167.58 9.95 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.436 1.094 . . . . 0.0 108.922 174.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -141.34 172.24 12.95 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.061 0.545 . . . . 0.0 110.851 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 35.9 ptt-85 -132.4 159.25 39.82 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.363 0.665 . . . . 0.0 110.399 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -152.01 161.72 42.19 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.087 0.555 . . . . 0.0 109.823 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -79.18 150.24 31.74 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.85 0.46 . . . . 0.0 110.027 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -75.77 161.6 28.9 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 122.588 0.355 . . . . 0.0 111.22 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -137.34 12.36 3.02 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.318 0.647 . . . . 0.0 110.762 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -138.33 160.3 39.84 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 123.85 0.86 . . . . 0.0 110.189 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -91.67 -0.59 57.58 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.046 0.538 . . . . 0.0 111.286 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 74.5 p -85.68 166.61 16.02 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.285 0.634 . . . . 0.0 110.854 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--O 1.25 1.127 0 C-N-CA 124.307 1.043 . . . . 0.0 111.652 -179.027 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 38.6 pt . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 110.915 -0.031 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 427' ' ' ASP . . . . . 0.409 ' HA ' ' HD3' ' A' ' 428' ' ' PRO . 19.7 t70 -148.49 146.66 23.14 Favored Pre-proline 0 CA--C 1.533 0.314 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 427' ' ' ASP . 52.8 Cg_exo -59.42 -8.35 6.77 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 123.877 3.051 . . . . 0.0 114.258 179.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -138.55 159.11 42.9 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.371 0.532 . . . . 0.0 110.477 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 0.401 HD23 ' H ' ' A' ' 430' ' ' LEU . 1.9 pt? -150.15 162.76 39.82 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.14 0.576 . . . . 0.0 110.772 -179.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -119.94 10.05 11.42 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.971 0.508 . . . . 0.0 111.331 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -113.44 159.53 19.4 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.51 0.724 . . . . 0.0 110.493 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 66.3 p -146.39 161.63 39.95 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 122.881 0.472 . . . . 0.0 111.144 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.55 HD21 ' HB2' ' A' ' 439' ' ' SER . 43.2 tp -150.71 147.49 27.4 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 36.3 t -59.66 127.12 30.42 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 175.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -86.23 3.82 41.43 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 112.602 0.594 . . . . 0.0 112.602 -174.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 35.0 mm -122.45 -24.98 2.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 117.88 0.309 . . . . 0.0 110.498 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 9.1 m -121.19 -35.03 3.37 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 122.219 0.208 . . . . 0.0 111.204 -174.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' SER . . . . . 0.55 ' HB2' HD21 ' A' ' 434' ' ' LEU . 13.2 p 41.61 27.41 0.06 Allowed 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.974 1.31 . . . . 0.0 114.111 -176.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 75.4 m -94.57 -10.45 32.01 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.408 0.683 . . . . 0.0 110.328 177.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -152.41 160.18 31.64 Favored Pre-proline 0 C--O 1.233 0.229 0 C-N-CA 124.233 1.013 . . . . 0.0 109.002 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -56.11 -9.45 3.32 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 124.396 3.397 . . . . 0.0 114.633 -175.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 75.82 91.26 0.21 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 -177.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -73.76 -7.38 20.02 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.623 2.882 . . . . 0.0 111.557 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -127.38 159.01 35.76 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 122.771 0.428 . . . . 0.0 111.453 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -145.64 151.02 37.39 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.503 1.121 . . . . 0.0 108.177 175.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 34.7 t -117.69 124.75 49.29 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.514 ' H ' ' CD ' ' A' ' 448' ' ' ARG . 0.0 OUTLIER -93.43 7.27 45.17 Favored 'General case' 0 CA--C 1.527 0.088 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -172.342 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -82.3 158.64 23.37 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.089 0.471 . . . . 0.0 111.093 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -72.82 -2.96 22.62 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 123.387 0.675 . . . . 0.0 112.56 -174.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 20.3 m -113.58 -0.51 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 122.781 0.433 . . . . 0.0 111.644 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 62.2 m -120.72 -69.94 0.81 Allowed 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 176.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 26.8 t80 47.24 33.22 2.45 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.278 1.431 . . . . 0.0 113.956 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -141.16 167.71 21.53 Favored 'General case' 0 C--N 1.339 0.15 0 O-C-N 121.891 -0.505 . . . . 0.0 111.334 -176.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -86.59 149.6 24.82 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.31 0.644 . . . . 0.0 109.598 175.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -148.98 172.64 14.39 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.401 0.62 . . . . 0.0 110.8 -176.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 22.0 p -124.3 176.71 6.27 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.491 1.516 . . . . 0.0 107.877 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -57.49 -35.34 70.09 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.241 0.473 . . . . 0.0 111.453 -174.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 75.1 m -67.12 -51.48 53.52 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 122.482 0.313 . . . . 0.0 111.349 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 15.5 p -86.81 -16.71 35.37 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -174.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -63.19 -38.24 90.39 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 172.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -77.86 -26.94 49.64 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.846 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 47.2 m0 -70.33 -13.81 62.31 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 118.62 0.646 . . . . 0.0 111.194 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.5 tpp85 -113.97 -16.37 12.18 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 122.874 0.47 . . . . 0.0 112.088 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -130.1 0.72 4.7 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -172.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 32.3 t -78.47 -14.0 59.57 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.899 0.772 . . . . 0.0 109.84 174.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.6 ptp -74.61 152.99 39.18 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.845 0.458 . . . . 0.0 109.77 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -72.36 -14.97 61.86 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.425 -0.172 . . . . 0.0 111.373 -176.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -79.12 -29.06 52.31 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-O 119.08 -0.844 . . . . 0.0 113.248 -176.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 66.2 mt -125.23 19.88 8.2 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.398 1.099 . . . . 0.0 112.212 -175.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -68.96 0.6 4.28 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -96.96 -2.36 43.78 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.579 0.751 . . . . 0.0 112.247 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -74.82 157.08 35.75 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.161 0.437 . . . . 0.0 110.189 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 475' ' ' PRO . 50.6 m -134.81 141.11 37.31 Favored Pre-proline 0 C--O 1.232 0.159 0 CA-C-O 119.184 -0.436 . . . . 0.0 110.027 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 475' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 474' ' ' SER . 52.4 Cg_exo -58.08 157.83 23.77 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 123.639 2.893 . . . . 0.0 113.422 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 30.3 tp -144.56 151.03 38.48 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 176.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.0 -32.28 27.04 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 118.239 0.472 . . . . 0.0 112.175 -175.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -165.18 161.64 19.54 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 117.949 0.34 . . . . 0.0 111.128 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -103.51 8.63 37.78 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.386 0.675 . . . . 0.0 111.32 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -78.6 -2.53 39.41 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.944 0.897 . . . . 0.0 111.754 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -147.5 155.73 42.16 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.451 0.701 . . . . 0.0 109.558 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -145.6 165.96 27.15 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 123.25 0.62 . . . . 0.0 110.189 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -73.68 146.59 44.38 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 122.715 0.406 . . . . 0.0 109.916 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -143.02 153.89 43.43 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 123.341 0.656 . . . . 0.0 109.939 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 43.1 m -139.51 4.1 2.15 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 122.969 0.508 . . . . 0.0 111.802 -176.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 117.164 -1.398 . . . . 0.0 110.905 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 53.1 mt . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -142.12 152.7 62.15 Favored Pre-proline 0 C--O 1.234 0.242 0 C-N-CA 123.277 0.631 . . . . 0.0 109.43 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -70.87 164.26 36.26 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.469 2.78 . . . . 0.0 110.566 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -144.52 169.59 17.66 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 122.863 0.465 . . . . 0.0 110.155 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 0.421 ' N ' HD22 ' A' ' 430' ' ' LEU . 3.3 mm? -70.67 161.69 30.34 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 123.067 0.547 . . . . 0.0 110.55 -177.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -80.74 -7.66 59.43 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 122.926 0.491 . . . . 0.0 111.285 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -76.12 7.14 4.42 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 121.786 -0.571 . . . . 0.0 112.299 -179.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 79.4 p -76.82 -6.73 53.54 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 122.573 0.349 . . . . 0.0 111.503 178.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 3.2 tp -59.18 156.77 11.61 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.787 0.835 . . . . 0.0 110.71 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 39.6 t -58.04 129.19 40.8 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 174.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -83.22 1.35 41.2 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.988 -0.445 . . . . 0.0 111.933 -175.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 30.9 mm -122.54 -21.33 3.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 122.689 0.396 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 19.3 m -126.44 -26.15 3.35 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.633 0.373 . . . . 0.0 111.884 -173.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 16.0 p 40.04 38.25 0.47 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.298 1.439 . . . . 0.0 114.344 176.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 67.6 m -121.39 -0.14 9.89 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.242 0.617 . . . . 0.0 111.797 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.73 155.54 41.35 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 124.334 1.054 . . . . 0.0 109.525 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -69.42 24.0 0.16 Allowed 'Trans proline' 0 CA--C 1.534 0.498 0 C-N-CA 125.033 3.822 . . . . 0.0 113.686 -176.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 64.92 74.89 0.43 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -69.65 -9.4 26.05 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 123.299 2.666 . . . . 0.0 111.451 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -132.05 152.82 50.95 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 121.245 0.545 . . . . 0.0 111.516 177.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -151.78 161.1 43.21 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.975 1.31 . . . . 0.0 108.525 177.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 6.5 t -135.7 154.5 51.25 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 117.86 0.3 . . . . 0.0 110.197 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -103.07 -3.45 25.91 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -173.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.55 155.16 23.44 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 118.68 0.673 . . . . 0.0 111.055 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -74.99 -4.65 39.53 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.349 0.66 . . . . 0.0 112.197 -175.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.39 -8.39 9.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 11.3 p -149.04 35.94 0.76 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.015 0.526 . . . . 0.0 110.914 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -68.84 22.62 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.809 1.244 . . . . 0.0 113.376 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -107.88 164.57 12.15 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.408 0.683 . . . . 0.0 111.289 -175.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -81.02 146.46 30.65 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -143.69 170.93 14.93 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.325 0.583 . . . . 0.0 111.222 -175.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 27.4 p -117.5 179.03 4.17 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.31 1.444 . . . . 0.0 107.457 172.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -61.11 -32.42 72.1 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.658 0.663 . . . . 0.0 111.526 -174.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 19.5 t -73.01 -50.74 21.38 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 122.172 0.189 . . . . 0.0 111.311 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 16.9 p -82.61 -16.01 50.01 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 -178.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -61.16 -41.53 96.94 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 170.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -71.92 -29.16 64.02 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.735 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 52.8 m0 -69.67 -12.22 61.46 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 118.793 0.724 . . . . 0.0 111.591 177.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -118.68 -7.88 10.47 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -139.06 -1.14 1.79 Allowed 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -174.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 22.9 t -81.12 -13.78 58.35 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 119.047 0.839 . . . . 0.0 109.921 175.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.6 ptp -73.49 150.87 41.29 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.999 0.519 . . . . 0.0 109.825 176.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . 0.45 ' H ' ' CD ' ' A' ' 468' ' ' GLU . 1.1 pm0 -69.95 -7.23 38.85 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -177.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -84.38 -30.99 26.16 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 118.871 -0.961 . . . . 0.0 112.743 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 67.2 mt -126.67 14.93 7.56 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 118.345 1.072 . . . . 0.0 112.774 -174.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -70.02 2.02 3.98 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.933 -0.48 . . . . 0.0 112.128 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -94.44 -1.72 53.1 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.559 0.744 . . . . 0.0 112.055 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -76.45 164.11 26.3 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.732 0.413 . . . . 0.0 110.816 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 52.7 m -124.56 146.87 53.84 Favored Pre-proline 0 N--CA 1.454 -0.27 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -74.79 136.49 20.93 Favored 'Trans proline' 0 N--CA 1.45 -1.057 0 C-N-CA 123.248 2.632 . . . . 0.0 112.043 -176.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.85 167.62 11.24 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 172.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -149.5 169.88 19.88 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 120.825 0.345 . . . . 0.0 110.89 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -61.59 141.59 57.68 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -111.09 -0.38 16.62 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -174.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -143.84 148.89 36.16 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 122.705 0.402 . . . . 0.0 110.506 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -150.99 150.39 30.72 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.975 0.91 . . . . 0.0 109.095 177.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -71.7 162.52 29.33 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 122.697 0.399 . . . . 0.0 111.342 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -76.16 155.48 34.56 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -146.89 156.76 43.34 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.214 0.606 . . . . 0.0 110.61 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 53.3 m -141.53 11.26 2.09 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.033 0.933 . . . . 0.0 110.889 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 43.9 m . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.031 -1.462 . . . . 0.0 111.159 -178.534 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 48.8 mm . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -121.59 155.01 60.08 Favored Pre-proline 0 CA--C 1.533 0.301 0 C-N-CA 122.844 0.458 . . . . 0.0 110.416 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -73.27 -4.87 16.18 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.871 3.047 . . . . 0.0 111.708 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -143.01 155.68 44.7 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.593 0.757 . . . . 0.0 109.612 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 53.9 tp -148.68 149.19 31.03 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.943 0.402 . . . . 0.0 110.074 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -145.62 146.74 31.46 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.67 0.788 . . . . 0.0 108.902 177.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -152.38 171.15 18.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.109 0.48 . . . . 0.0 111.785 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 23.3 t -143.76 168.48 19.81 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.042 0.937 . . . . 0.0 108.735 177.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.508 HD22 ' H ' ' A' ' 434' ' ' LEU . 1.8 mm? -71.31 175.79 5.1 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 121.181 0.515 . . . . 0.0 111.138 -177.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 40.1 t -52.4 142.65 16.9 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.384 0.674 . . . . 0.0 109.76 172.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -84.78 0.3 51.2 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 -174.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 34.5 mm -118.7 -20.42 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.126 0 CA-C-N 118.396 0.544 . . . . 0.0 111.578 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.2 p -135.26 -18.3 1.76 Allowed 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -177.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' SER . . . . . 0.447 ' HA ' ' HB3' ' A' ' 434' ' ' LEU . 21.2 p 41.35 40.72 1.3 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 178.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 26.3 m -126.91 -0.25 6.61 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 124.414 1.086 . . . . 0.0 111.432 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -134.94 158.19 75.47 Favored Pre-proline 0 N--CA 1.454 -0.226 0 C-N-CA 124.05 0.94 . . . . 0.0 109.424 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -62.67 -2.35 3.36 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 124.887 3.725 . . . . 0.0 115.089 -171.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 61.53 49.94 71.64 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -175.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -70.97 -9.63 26.05 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 124.044 3.163 . . . . 0.0 112.877 -172.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -119.44 154.4 33.76 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.123 0.487 . . . . 0.0 111.664 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -147.84 152.96 38.52 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.782 1.233 . . . . 0.0 108.333 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 9.1 t -125.68 152.12 45.67 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.795 0.331 . . . . 0.0 110.918 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 45.7 mtm105 -92.88 -7.7 45.45 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -171.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.21 157.48 17.15 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 118.819 0.736 . . . . 0.0 110.856 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -73.98 -6.06 45.09 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -175.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 28.2 m -97.2 -10.18 8.89 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 CA-C-N 117.821 0.282 . . . . 0.0 111.345 -178.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 4.2 p -146.93 36.31 0.94 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.604 0.762 . . . . 0.0 110.363 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -73.72 34.61 0.08 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.514 1.125 . . . . 0.0 113.194 -175.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -131.67 170.21 15.1 Favored 'General case' 0 N--CA 1.458 -0.053 0 C-N-CA 123.813 0.845 . . . . 0.0 109.852 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -82.31 143.21 31.45 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -145.72 165.88 27.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.193 0.597 . . . . 0.0 110.69 -177.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 23.5 p -103.45 177.55 4.81 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.383 1.073 . . . . 0.0 109.166 173.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -58.92 -31.09 68.34 Favored 'General case' 0 CA--C 1.528 0.098 0 O-C-N 122.065 -0.397 . . . . 0.0 111.659 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 8.2 t -72.13 -48.6 42.51 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.822 0.82 . . . . 0.0 109.913 -178.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 37.6 m -80.2 -19.91 45.93 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.684 -172.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -67.19 -41.35 86.02 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 171.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -72.47 -16.35 61.8 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.885 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 54.3 m0 -86.71 -12.98 46.69 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.037 0.38 . . . . 0.0 111.82 175.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -109.73 -1.74 17.81 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 123.176 0.59 . . . . 0.0 111.8 175.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -136.9 19.43 3.03 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 117.944 0.338 . . . . 0.0 111.704 -177.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 54.8 p -68.37 -26.52 65.62 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 122.523 0.329 . . . . 0.0 111.045 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.3 ptp -82.17 152.25 26.56 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 122.781 0.433 . . . . 0.0 110.795 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . 0.451 ' H ' ' CD ' ' A' ' 468' ' ' GLU . 1.1 pm0 -73.17 -9.44 58.72 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.627 0.371 . . . . 0.0 111.898 -178.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -81.77 -13.5 79.64 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-O 118.966 -0.908 . . . . 0.0 113.551 -176.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 66.8 mt -119.91 19.14 12.44 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 118.616 1.208 . . . . 0.0 112.0 -177.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -74.53 0.55 14.47 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -90.62 -3.19 57.71 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.351 0.66 . . . . 0.0 111.478 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 41.3 m170 -76.13 162.98 27.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.345 0.658 . . . . 0.0 111.67 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 75.6 p -144.62 149.61 44.2 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 123.893 0.877 . . . . 0.0 109.394 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -68.63 156.11 66.62 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 123.563 2.842 . . . . 0.0 111.004 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 11.9 tp -146.62 160.33 42.31 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.341 0.656 . . . . 0.0 109.573 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 72.3 mtm -138.35 159.26 42.52 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.052 0.541 . . . . 0.0 110.058 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 48.8 tpt85 -83.56 -12.89 55.59 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 122.767 0.427 . . . . 0.0 111.163 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -144.35 162.82 35.48 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -148.23 154.77 40.52 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.232 0.613 . . . . 0.0 109.747 -178.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -135.26 165.12 26.16 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 123.231 0.613 . . . . 0.0 110.527 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -148.01 166.25 28.31 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.336 0.654 . . . . 0.0 109.643 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -137.07 164.21 28.94 Favored 'General case' 0 C--O 1.23 0.044 0 C-N-CA 123.397 0.679 . . . . 0.0 110.273 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -147.1 155.31 42.07 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.173 0.589 . . . . 0.0 110.389 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 83.6 p -151.69 165.47 34.29 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 122.886 0.475 . . . . 0.0 111.015 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 65.2 m . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.592 -1.194 . . . . 0.0 110.256 -179.679 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 41.0 pt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 119.986 -0.054 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -146.81 77.39 11.2 Favored Pre-proline 0 CA--C 1.532 0.264 0 C-N-CA 122.988 0.515 . . . . 0.0 110.123 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -58.07 162.78 10.84 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.893 3.062 . . . . 0.0 112.321 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -140.51 167.02 23.14 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.886 0.474 . . . . 0.0 110.382 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 83.3 mt -80.8 -4.2 53.78 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.939 0.496 . . . . 0.0 112.017 -176.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -135.05 167.54 20.77 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.57 0.748 . . . . 0.0 110.052 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -77.24 32.93 0.15 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.655 0.782 . . . . 0.0 111.668 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.3 t -81.82 11.29 5.06 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.668 0.787 . . . . 0.0 112.03 -178.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.464 ' HB3' ' HA ' ' A' ' 439' ' ' SER . 2.6 mm? -70.86 171.03 11.37 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.083 0.468 . . . . 0.0 110.466 178.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 30.8 t -54.03 135.75 42.6 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 169.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -71.91 -10.42 59.75 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -173.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 39.8 mm -122.47 -26.77 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 122.378 0.271 . . . . 0.0 110.999 -176.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.1 m -105.17 -24.08 12.8 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -173.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' SER . . . . . 0.464 ' HA ' ' HB3' ' A' ' 434' ' ' LEU . 22.6 p 35.96 48.14 0.48 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.803 1.241 . . . . 0.0 114.131 177.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 44.7 m -131.32 -16.83 3.06 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.211 0.605 . . . . 0.0 111.822 -177.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -158.52 158.24 29.36 Favored Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 123.683 0.793 . . . . 0.0 109.284 177.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -65.39 107.46 1.01 Allowed 'Trans proline' 0 N--CA 1.449 -1.146 0 C-N-CA 122.561 2.174 . . . . 0.0 107.887 170.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -51.1 136.11 30.47 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 123.238 0.447 . . . . 0.0 112.013 -177.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -75.12 -7.83 19.4 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 124.381 3.387 . . . . 0.0 111.541 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -130.39 156.53 44.57 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.91 0.484 . . . . 0.0 111.216 -179.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -136.26 137.85 41.19 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 173.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 19.0 t -100.25 116.28 31.86 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -87.3 6.14 34.92 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -172.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.55 156.31 22.85 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.039 -0.413 . . . . 0.0 110.662 177.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -70.84 -18.56 62.71 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -172.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 27.5 m -91.56 -8.18 10.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 118.474 0.579 . . . . 0.0 111.726 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 62.5 m -113.57 -65.66 1.16 Allowed 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 22.2 t80 47.93 25.71 0.81 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.931 1.692 . . . . 0.0 114.771 175.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -140.89 173.09 11.82 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.5 0.591 . . . . 0.0 111.465 -177.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -82.59 150.0 27.13 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.537 0.735 . . . . 0.0 110.688 177.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -151.01 173.84 13.85 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.474 0.709 . . . . 0.0 110.114 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 21.5 p -125.74 174.0 8.63 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.65 1.18 . . . . 0.0 108.256 175.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -58.37 -34.26 70.49 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.938 -0.477 . . . . 0.0 112.013 -172.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 74.9 m -69.05 -48.68 62.2 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -176.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 23.3 p -88.95 -16.73 31.06 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 111.449 0.166 . . . . 0.0 111.449 -174.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -62.75 -39.38 93.96 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 171.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -73.7 -30.28 62.77 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.589 177.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 47.1 m0 -70.06 -12.37 61.56 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.661 0.664 . . . . 0.0 111.523 178.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 27.8 mmt85 -118.69 -4.31 10.76 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 178.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -133.33 3.56 3.64 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 73.2 m -76.87 -13.79 59.96 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 121.368 -0.832 . . . . 0.0 110.591 173.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.3 ptp -73.51 151.33 41.04 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 176.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -72.02 -17.55 62.03 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -175.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -78.58 -22.06 67.91 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 118.978 -0.901 . . . . 0.0 113.827 -175.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 58.9 mt -120.56 25.04 10.01 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 118.576 1.188 . . . . 0.0 112.14 -174.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 29.5 mmt85 -68.81 -2.55 9.74 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.943 0.497 . . . . 0.0 112.163 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -97.42 -1.65 43.85 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.696 0.798 . . . . 0.0 112.47 -175.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -75.88 158.51 32.0 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 118.269 0.486 . . . . 0.0 111.128 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 54.3 p -145.97 147.82 33.46 Favored Pre-proline 0 N--CA 1.453 -0.302 0 C-N-CA 123.443 0.697 . . . . 0.0 109.79 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -71.78 161.16 45.93 Favored 'Trans proline' 0 N--CA 1.449 -1.114 0 C-N-CA 123.461 2.774 . . . . 0.0 111.336 -177.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . 0.469 ' HG ' ' H ' ' A' ' 478' ' ' ARG . 53.7 tp -141.93 147.09 36.46 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.709 0.803 . . . . 0.0 109.315 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -127.88 9.96 6.44 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.017 0.527 . . . . 0.0 111.53 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . 0.469 ' H ' ' HG ' ' A' ' 476' ' ' LEU . 76.9 mtm180 55.58 16.53 1.92 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.504 1.121 . . . . 0.0 113.094 -177.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -150.85 167.61 26.99 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -109.71 171.41 7.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.126 0.57 . . . . 0.0 111.103 -178.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -99.64 -12.89 19.65 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.076 0.55 . . . . 0.0 110.908 178.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -111.4 -7.91 14.34 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.253 0.621 . . . . 0.0 111.203 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -142.87 165.43 27.4 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.675 0.79 . . . . 0.0 109.194 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -146.28 155.98 43.04 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.618 0.367 . . . . 0.0 110.277 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 31.7 t -152.42 160.64 43.25 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.933 0.493 . . . . 0.0 110.447 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 C--O 1.252 1.196 0 CA-C-O 117.584 -1.198 . . . . 0.0 110.278 -179.297 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 66.2 mt . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 427' ' ' ASP . . . . . 0.422 ' HA ' ' HD3' ' A' ' 428' ' ' PRO . 27.8 t70 -147.54 143.67 18.29 Favored Pre-proline 0 CA--C 1.534 0.33 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 427' ' ' ASP . 54.4 Cg_exo -56.65 153.21 37.18 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 123.519 2.812 . . . . 0.0 113.007 -179.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -83.72 -7.4 59.49 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.373 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 42.8 tp -76.64 -14.06 60.01 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.691 0.397 . . . . 0.0 110.432 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -86.74 -2.15 58.31 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 122.794 0.438 . . . . 0.0 110.992 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -90.8 -8.85 48.51 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.126 0.57 . . . . 0.0 111.026 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 50.0 m -81.5 154.71 26.16 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 122.849 0.46 . . . . 0.0 110.593 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.451 ' HB3' ' HA ' ' A' ' 439' ' ' SER . 2.7 mm? -104.87 177.91 4.71 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.169 0.509 . . . . 0.0 111.086 179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 12.0 t -56.97 137.66 55.26 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 169.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -78.89 -0.77 32.1 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 33.3 mm -123.44 -24.34 2.29 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 C-N-CA 122.689 0.395 . . . . 0.0 110.877 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 30.6 m -114.9 -24.85 8.44 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -172.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' SER . . . . . 0.451 ' HA ' ' HB3' ' A' ' 434' ' ' LEU . 20.3 p 41.94 39.19 1.21 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.117 0.967 . . . . 0.0 113.116 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 79.3 p -134.56 -14.13 2.23 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.584 0.754 . . . . 0.0 112.332 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -132.11 159.91 70.11 Favored Pre-proline 0 N--CA 1.456 -0.17 0 C-N-CA 123.882 0.873 . . . . 0.0 109.264 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -62.45 6.94 0.16 Allowed 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 124.949 3.766 . . . . 0.0 114.975 -175.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 57.75 58.46 14.49 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 -175.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -70.87 -11.08 28.89 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 123.967 3.112 . . . . 0.0 112.404 -169.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -121.37 151.76 39.78 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.101 0.477 . . . . 0.0 111.479 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -149.21 155.38 40.54 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.889 0.876 . . . . 0.0 108.73 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 7.6 t -131.13 162.13 30.58 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 122.744 0.417 . . . . 0.0 110.391 -176.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 48.7 tpt85 -100.59 -16.98 17.28 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 -170.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.72 155.75 24.13 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.708 0.685 . . . . 0.0 110.866 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -70.54 -4.36 22.61 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.224 0.609 . . . . 0.0 112.314 -175.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 23.3 m -101.06 -8.81 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 122.647 0.379 . . . . 0.0 111.298 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 3.9 p -146.19 32.28 1.0 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.625 0.77 . . . . 0.0 111.142 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -75.37 38.14 0.14 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.388 1.075 . . . . 0.0 112.349 -177.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -132.84 167.36 20.34 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 123.696 0.799 . . . . 0.0 110.207 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -83.13 140.14 32.78 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -143.94 170.44 15.9 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.305 0.642 . . . . 0.0 110.993 -174.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 22.6 p -116.27 179.82 3.88 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.178 1.391 . . . . 0.0 107.846 173.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 61.4 ttt85 -60.3 -31.66 70.47 Favored 'General case' 0 N--CA 1.462 0.131 0 O-C-N 121.692 -0.63 . . . . 0.0 111.813 -173.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 17.5 t -73.06 -49.72 27.01 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 120.437 0.161 . . . . 0.0 111.374 -174.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 7.0 p -84.02 -16.18 44.87 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 119.585 -0.245 . . . . 0.0 111.422 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -62.83 -39.31 93.94 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 170.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -72.35 -27.73 62.59 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.187 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.7 m0 -72.98 -10.08 59.42 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.784 0.72 . . . . 0.0 111.584 176.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -115.52 -3.96 12.32 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 118.875 -0.584 . . . . 0.0 112.317 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -138.35 14.51 2.79 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.889 0.768 . . . . 0.0 112.985 -176.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 58.5 p -72.12 -24.99 61.55 Favored 'General case' 0 C--O 1.232 0.148 0 O-C-N 122.11 -0.369 . . . . 0.0 110.981 176.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 21.7 ptp -76.44 145.38 39.32 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 122.776 0.43 . . . . 0.0 110.119 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.39 -10.02 57.92 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -175.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -80.87 -15.22 78.07 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-O 118.753 -1.026 . . . . 0.0 112.727 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 68.1 mt -123.03 13.08 9.72 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 118.606 1.203 . . . . 0.0 112.765 -176.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -74.58 4.62 5.84 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 118.738 0.699 . . . . 0.0 111.842 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -90.7 -3.99 57.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.653 0.781 . . . . 0.0 111.301 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -77.35 160.53 28.73 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.213 0.605 . . . . 0.0 111.221 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 62.8 m -138.82 132.48 16.17 Favored Pre-proline 0 C--O 1.233 0.214 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -62.09 142.08 90.97 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 122.796 2.331 . . . . 0.0 113.011 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 11.1 mp -102.31 152.39 21.13 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 170.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 86.7 mmm -123.07 17.62 10.01 Favored 'General case' 0 C--O 1.231 0.082 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -172.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 92.5 mtm-85 54.07 19.99 2.31 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.592 0.757 . . . . 0.0 112.522 -174.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -148.85 163.34 37.71 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.426 0.69 . . . . 0.0 109.509 -178.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.29 171.38 14.4 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.009 0.524 . . . . 0.0 111.155 -178.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -135.82 162.03 33.95 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 123.849 0.86 . . . . 0.0 110.051 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -78.39 160.85 27.56 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.409 0.284 . . . . 0.0 110.245 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -146.72 165.14 30.52 Favored 'General case' 0 N--CA 1.457 -0.093 0 C-N-CA 123.109 0.564 . . . . 0.0 110.779 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -147.63 153.95 40.02 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.998 0.519 . . . . 0.0 110.177 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 50.7 m -142.21 2.04 1.46 Allowed 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.12 0.568 . . . . 0.0 111.851 -177.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 50.6 p . . . . . 0 C--O 1.253 1.241 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.869 -178.946 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 67.4 mt . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -78.49 152.53 78.41 Favored Pre-proline 0 C--O 1.234 0.266 0 C-N-CA 122.756 0.422 . . . . 0.0 110.455 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -71.11 160.32 49.51 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 123.605 2.87 . . . . 0.0 110.813 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -78.55 -5.73 53.55 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 122.554 0.342 . . . . 0.0 111.745 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 47.3 tp -66.53 -15.25 63.26 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.285 0.634 . . . . 0.0 110.724 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -104.19 15.06 29.2 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.443 0.697 . . . . 0.0 111.104 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -135.3 169.17 17.88 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.429 0.692 . . . . 0.0 110.231 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 79.6 p -82.12 0.62 39.91 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -177.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 3.5 tp -63.25 161.32 13.99 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.318 0.647 . . . . 0.0 110.418 178.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 38.4 t -60.23 127.97 34.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 173.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -81.1 2.77 25.92 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 32.6 mm -127.01 -23.85 1.64 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.173 0 C-N-CA 122.767 0.427 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 19.2 m -120.27 -27.36 5.26 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.883 0.473 . . . . 0.0 111.796 -173.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 19.6 p 40.18 39.25 0.62 Allowed 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 177.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 37.2 m -122.66 0.02 9.23 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 123.143 0.577 . . . . 0.0 111.497 177.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.41 155.81 45.93 Favored Pre-proline 0 N--CA 1.455 -0.224 0 C-N-CA 124.273 1.029 . . . . 0.0 109.277 -179.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -71.55 29.82 0.24 Allowed 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 125.005 3.804 . . . . 0.0 113.066 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 59.03 75.06 0.29 Allowed Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -70.32 -8.49 23.73 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.307 2.672 . . . . 0.0 111.604 -176.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -136.07 152.94 51.4 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.326 0.584 . . . . 0.0 111.958 178.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -151.56 151.94 32.24 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 7.2 t -121.28 141.04 51.28 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -86.75 -2.39 58.51 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -174.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -88.43 155.28 19.77 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 118.145 0.43 . . . . 0.0 110.855 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . 0.494 ' H ' ' CD ' ' A' ' 450' ' ' GLN . 0.0 OUTLIER -77.37 -0.74 26.85 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -174.569 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 28.8 m -102.95 -9.51 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 C-N-CA 122.497 0.319 . . . . 0.0 111.47 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 2.5 p -145.92 36.69 1.04 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.359 0.664 . . . . 0.0 110.29 177.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -74.26 41.58 0.14 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.818 1.247 . . . . 0.0 112.764 -176.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -134.89 165.6 24.94 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 123.344 0.658 . . . . 0.0 110.598 -177.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -80.25 139.85 36.49 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 121.0 0.428 . . . . 0.0 109.935 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -145.69 174.12 11.48 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.548 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 26.5 p -119.18 -178.65 3.63 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.046 1.339 . . . . 0.0 107.768 174.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -62.43 -26.07 68.3 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.511 -0.743 . . . . 0.0 111.932 -174.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 21.7 t -76.54 -52.72 9.21 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 117.806 0.275 . . . . 0.0 110.926 -175.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 4.6 p -80.15 -15.49 56.98 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 111.468 0.173 . . . . 0.0 111.468 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 37.3 t-105 -64.58 -41.57 96.17 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -71.97 -19.79 61.83 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.668 177.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 53.6 m0 -81.48 -14.4 57.04 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.596 0.634 . . . . 0.0 111.813 175.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -105.32 -5.96 20.05 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.234 0.47 . . . . 0.0 111.216 175.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -134.68 23.03 3.64 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 117.827 0.285 . . . . 0.0 111.472 -177.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 53.8 p -70.1 -22.68 63.01 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 123.145 0.578 . . . . 0.0 111.496 177.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.9 ptp -94.1 140.43 29.75 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . 0.433 ' H ' ' CD ' ' A' ' 468' ' ' GLU . 1.0 OUTLIER -65.93 -8.78 24.36 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 -177.678 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -75.2 -15.47 81.12 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 118.686 -1.063 . . . . 0.0 112.884 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 62.8 mt -123.79 8.12 8.78 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.225 1.013 . . . . 0.0 112.619 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -78.35 7.53 6.36 Favored 'General case' 0 C--O 1.232 0.157 0 O-C-N 121.469 -0.77 . . . . 0.0 111.708 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -88.47 -3.16 58.88 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.579 0.751 . . . . 0.0 110.569 174.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -73.81 168.21 19.87 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.913 0.885 . . . . 0.0 110.804 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 78.2 p -136.16 148.33 64.14 Favored Pre-proline 0 N--CA 1.456 -0.134 0 C-N-CA 123.026 0.53 . . . . 0.0 110.188 177.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -72.35 162.18 42.26 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.694 2.929 . . . . 0.0 111.77 -177.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 16.3 tp -144.47 150.76 38.15 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.058 0.943 . . . . 0.0 108.634 177.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -136.47 26.68 3.13 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -174.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 80.7 mtm-85 56.22 15.08 1.74 Allowed 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.928 0.891 . . . . 0.0 112.668 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -153.86 161.37 42.09 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.329 0.652 . . . . 0.0 109.735 -178.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -135.35 152.68 51.68 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.214 0.606 . . . . 0.0 109.621 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -137.98 161.4 36.8 Favored 'General case' 0 C--O 1.23 0.054 0 C-N-CA 122.832 0.453 . . . . 0.0 110.457 -177.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -147.88 155.92 42.13 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.319 0.648 . . . . 0.0 110.043 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -140.34 -6.0 1.22 Allowed 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.746 0.818 . . . . 0.0 110.795 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 53.29 23.16 3.07 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.16 0.984 . . . . 0.0 112.726 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 81.2 p -87.5 -0.82 57.38 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.307 0.643 . . . . 0.0 112.051 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 C--O 1.25 1.126 0 CA-C-O 117.339 -1.315 . . . . 0.0 110.622 -179.442 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 9.0 tp . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -147.97 152.65 40.71 Favored Pre-proline 0 CA--C 1.53 0.209 0 C-N-CA 123.215 0.606 . . . . 0.0 109.797 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -73.99 168.73 24.07 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 124.201 3.267 . . . . 0.0 111.731 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -130.19 160.95 32.29 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.181 0.592 . . . . 0.0 110.831 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 36.9 tp -95.42 -6.46 40.81 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.145 0.578 . . . . 0.0 110.942 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -144.28 155.36 43.81 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.483 0.713 . . . . 0.0 109.615 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -113.52 161.56 17.23 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.77 0.428 . . . . 0.0 111.335 -177.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 21.4 m -96.35 2.9 53.15 Favored 'General case' 0 C--O 1.227 -0.081 0 C-N-CA 123.289 0.636 . . . . 0.0 111.601 -178.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 21.2 tp -82.33 155.58 24.7 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 123.885 0.874 . . . . 0.0 109.518 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 42.5 t -58.56 146.09 36.98 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -92.54 -13.08 30.27 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -169.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 44.3 mm -114.97 -26.75 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 118.751 0.705 . . . . 0.0 111.801 -176.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 5.3 p -129.91 -22.56 2.89 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 118.911 -0.566 . . . . 0.0 111.895 -176.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 5.0 p 45.47 25.73 0.25 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.714 1.206 . . . . 0.0 113.429 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 60.5 m -82.98 -12.44 57.29 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 122.597 0.359 . . . . 0.0 111.337 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -158.13 157.58 29.34 Favored Pre-proline 0 N--CA 1.454 -0.267 0 C-N-CA 123.39 0.676 . . . . 0.0 110.02 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.33 106.21 1.17 Allowed 'Trans proline' 0 N--CA 1.452 -0.968 0 C-N-CA 122.382 2.055 . . . . 0.0 107.468 170.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -50.47 120.52 8.75 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-O 119.823 -0.432 . . . . 0.0 112.042 -175.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -76.79 -7.62 17.6 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 124.029 3.153 . . . . 0.0 111.25 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -126.67 159.23 34.25 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.232 0.539 . . . . 0.0 111.421 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -138.34 154.2 48.98 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 176.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' CYS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 43.4 t -131.26 131.52 43.93 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -177.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -108.57 82.51 1.62 Allowed 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.121 0.569 . . . . 0.0 110.926 -173.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -137.12 174.19 10.88 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.198 175.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -72.67 -13.21 61.3 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.264 0.625 . . . . 0.0 110.912 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 16.2 m -120.05 -14.16 8.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 C-N-CA 122.679 0.391 . . . . 0.0 111.693 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' CYS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 79.8 m -91.46 -97.94 0.12 Allowed 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 175.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 25.5 t80 54.8 32.46 17.63 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.574 1.149 . . . . 0.0 112.87 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -143.28 168.62 19.36 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.593 0.757 . . . . 0.0 110.491 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -84.86 149.63 25.55 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.072 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -148.19 170.21 18.35 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.85 0.46 . . . . 0.0 110.514 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 23.9 p -121.22 173.45 7.3 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 174.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -57.31 -38.02 73.38 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.909 -0.494 . . . . 0.0 111.567 -171.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 73.1 m -69.16 -51.54 37.19 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -175.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 25.0 p -84.22 -13.88 51.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.698 -175.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 17.6 t-105 -63.71 -41.17 98.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 170.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -74.09 -23.13 59.29 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.156 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 47.7 m0 -75.07 -18.7 60.25 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 118.546 0.612 . . . . 0.0 111.758 176.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -113.78 -1.61 13.89 Favored 'General case' 0 C--N 1.34 0.169 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -132.56 9.3 4.29 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 62.9 p -76.59 -23.21 53.46 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 122.01 -0.432 . . . . 0.0 110.502 174.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 20.2 ptp -73.56 142.36 46.65 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.076 0.55 . . . . 0.0 109.981 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -66.47 -17.05 64.58 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.735 0.414 . . . . 0.0 111.703 -172.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -75.56 -18.76 79.68 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 118.88 -0.956 . . . . 0.0 113.393 -177.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 69.6 mt -124.92 16.72 8.59 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.48 1.14 . . . . 0.0 113.126 -175.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -72.28 1.26 8.02 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 121.668 -0.645 . . . . 0.0 112.203 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 53.0 p-80 -88.7 -2.6 58.68 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.197 0.599 . . . . 0.0 111.557 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -78.87 158.99 27.99 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.183 0.515 . . . . 0.0 110.879 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 77.7 p -145.15 151.39 48.18 Favored Pre-proline 0 N--CA 1.454 -0.247 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -66.03 153.72 76.94 Favored 'Trans proline' 0 N--CA 1.45 -1.048 0 C-N-CA 123.523 2.815 . . . . 0.0 110.821 -177.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 26.1 tp -137.99 152.8 49.25 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.614 0.766 . . . . 0.0 109.286 -178.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.45 158.86 20.13 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.213 0.605 . . . . 0.0 111.113 -178.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -100.92 -12.27 19.09 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 122.95 0.5 . . . . 0.0 111.287 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -149.12 157.15 43.16 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.174 0.59 . . . . 0.0 109.571 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -145.92 6.26 1.03 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 122.984 0.514 . . . . 0.0 111.142 -178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -142.22 153.66 44.17 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 122.697 0.399 . . . . 0.0 110.874 -178.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -71.67 163.15 28.3 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.99 0.424 . . . . 0.0 110.453 177.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 53.6 ptt85 -149.24 168.75 22.44 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 123.5 0.72 . . . . 0.0 110.523 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -78.58 157.79 28.67 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.266 177.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 9.4 t 57.37 -175.84 0.07 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.01 0.924 . . . . 0.0 112.382 -177.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 62.4 m . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.834 -1.079 . . . . 0.0 110.383 -178.236 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 9.4 tp . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -72.41 153.06 92.08 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 123.024 0.53 . . . . 0.0 110.91 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -72.67 163.68 37.77 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 123.578 2.852 . . . . 0.0 110.857 178.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -130.25 11.82 5.48 Favored 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 123.395 0.678 . . . . 0.0 111.116 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 10.0 mp -78.7 163.37 25.47 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.899 0.38 . . . . 0.0 110.441 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -139.6 169.36 17.89 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 123.932 0.893 . . . . 0.0 109.835 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.91 -7.65 42.19 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.771 0.32 . . . . 0.0 110.598 176.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 85.7 p -89.82 23.11 2.83 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.204 1.001 . . . . 0.0 111.341 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 2.1 tp -54.02 147.53 12.38 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.999 0.52 . . . . 0.0 110.278 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 38.7 t -54.45 129.95 37.73 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -80.11 1.44 27.95 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -176.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 32.9 mm -124.39 -23.86 2.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 122.754 0.422 . . . . 0.0 110.575 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 18.7 m -119.13 -28.33 5.49 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.614 0.366 . . . . 0.0 111.375 -174.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 12.2 p 38.03 38.26 0.18 Allowed 'General case' 0 C--N 1.339 0.151 0 C-N-CA 125.717 1.607 . . . . 0.0 114.507 177.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 75.3 m -110.06 -11.62 14.6 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.646 0.378 . . . . 0.0 111.826 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -159.87 161.94 25.53 Favored Pre-proline 0 N--CA 1.453 -0.304 0 C-N-CA 122.856 0.463 . . . . 0.0 109.961 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.62 108.01 0.38 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 123.127 2.551 . . . . 0.0 108.141 169.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -52.63 122.63 20.16 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -177.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -75.08 -7.89 19.49 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.944 3.096 . . . . 0.0 112.187 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -126.0 148.03 49.39 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 118.392 0.542 . . . . 0.0 112.264 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -154.57 152.03 29.55 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.287 1.035 . . . . 0.0 109.506 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 68.7 m -116.54 142.16 47.24 Favored 'General case' 0 C--O 1.23 0.077 0 C-N-CA 123.137 0.575 . . . . 0.0 110.417 176.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -82.65 -4.73 58.19 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.836 174.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.84 153.97 36.46 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.524 0.73 . . . . 0.0 110.103 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -80.41 -16.01 55.47 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -174.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 34.8 m -84.62 -14.34 11.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 O-C-N 122.028 -0.42 . . . . 0.0 112.092 -177.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 14.9 p -148.55 43.89 1.02 Allowed 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.177 0.591 . . . . 0.0 110.053 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -73.14 41.3 0.1 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.636 1.174 . . . . 0.0 111.892 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -132.37 168.95 17.23 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.144 0.978 . . . . 0.0 110.075 -177.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -87.35 147.15 25.61 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.892 0.377 . . . . 0.0 110.603 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -146.5 172.21 13.89 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.451 0.7 . . . . 0.0 110.409 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 18.8 p -125.54 178.92 5.37 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.969 1.308 . . . . 0.0 108.513 176.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -55.29 -38.88 69.2 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 121.594 -0.691 . . . . 0.0 112.051 -172.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 73.3 m -68.04 -50.28 56.24 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.499 0.319 . . . . 0.0 111.66 -175.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 8.9 p -87.56 -15.95 35.98 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -174.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -62.36 -40.48 96.56 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 171.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -74.83 -27.08 60.14 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.879 177.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 43.2 m0 -72.95 -7.62 51.88 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.308 0.504 . . . . 0.0 111.431 175.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -123.92 -2.69 8.22 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 177.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -139.55 2.73 2.05 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -177.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 37.3 t -75.6 -21.0 58.19 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 118.796 0.726 . . . . 0.0 109.929 175.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.7 ptp -69.06 144.64 53.93 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 175.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . 0.446 ' H ' ' CD ' ' A' ' 468' ' ' GLU . 1.2 pm0 -70.26 -6.77 37.2 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -175.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -81.99 -22.11 59.97 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-O 118.999 -0.889 . . . . 0.0 113.376 -177.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 67.4 mt -123.92 18.89 9.33 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.478 1.139 . . . . 0.0 112.955 -174.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -73.24 1.3 9.66 Favored 'General case' 0 N--CA 1.462 0.174 0 O-C-N 121.653 -0.654 . . . . 0.0 111.862 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 55.3 p-80 -92.62 -0.72 57.27 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.442 0.697 . . . . 0.0 111.828 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -75.55 162.64 28.12 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.053 0.454 . . . . 0.0 110.568 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 43.6 t -130.91 137.03 29.84 Favored Pre-proline 0 N--CA 1.452 -0.327 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 176.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.1 155.98 66.46 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.097 2.531 . . . . 0.0 111.597 -175.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 25.1 tp -140.28 149.99 43.5 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 90.3 mtp -127.7 166.01 18.94 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.269 0.557 . . . . 0.0 111.876 -173.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -77.03 -8.23 57.07 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.961 0.904 . . . . 0.0 111.484 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -149.2 158.0 43.82 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.413 0.685 . . . . 0.0 109.58 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -142.71 0.33 1.25 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.864 0.466 . . . . 0.0 111.389 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -144.53 144.92 31.56 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.901 -0.499 . . . . 0.0 110.667 -178.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -142.1 5.94 1.72 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.402 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 74.4 mtp85 -142.3 164.01 31.29 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 123.371 0.668 . . . . 0.0 110.219 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -138.27 1.85 2.24 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.231 0.613 . . . . 0.0 110.924 177.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 49.3 m -145.27 157.27 44.1 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.466 0.706 . . . . 0.0 110.496 -178.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 C--O 1.252 1.194 0 CA-C-O 117.267 -1.349 . . . . 0.0 110.913 179.728 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 38.8 pt . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 120.453 0.168 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -146.32 135.65 11.45 Favored Pre-proline 0 CA--C 1.537 0.448 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -71.03 160.69 48.5 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.508 2.805 . . . . 0.0 111.663 -178.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -147.29 160.87 42.0 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.156 0.583 . . . . 0.0 110.934 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 96.7 mt -127.95 12.91 6.76 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.804 0.841 . . . . 0.0 111.48 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -81.87 8.28 10.72 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.283 0.633 . . . . 0.0 112.123 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -72.07 161.54 30.76 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.881 0.473 . . . . 0.0 110.777 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 70.5 m -78.67 -7.84 58.08 Favored 'General case' 0 CA--C 1.527 0.09 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.3 tp -52.98 147.06 9.88 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.809 -0.557 . . . . 0.0 111.465 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 35.8 t -56.62 134.2 54.31 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 175.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -83.13 1.48 40.2 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -175.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 34.2 mm -124.92 -24.58 1.92 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.147 0 C-N-CA 122.759 0.424 . . . . 0.0 110.257 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 17.4 m -116.7 -28.05 6.49 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -173.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 12.8 p 37.05 42.61 0.26 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.273 1.429 . . . . 0.0 114.018 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 12.7 t -123.84 -10.24 7.75 Favored 'General case' 0 CA--C 1.527 0.069 0 C-N-CA 122.535 0.334 . . . . 0.0 111.092 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -150.14 155.98 37.48 Favored Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 123.534 0.734 . . . . 0.0 109.731 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -71.58 11.56 0.62 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 124.524 3.483 . . . . 0.0 112.859 -176.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 68.64 101.39 0.03 OUTLIER Glycine 0 CA--C 1.532 1.107 0 C-N-CA 123.556 0.598 . . . . 0.0 111.796 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -74.97 -10.53 21.31 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 123.138 2.559 . . . . 0.0 111.249 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -128.64 162.6 26.94 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.011 0.524 . . . . 0.0 111.989 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -143.25 159.9 41.46 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.265 1.026 . . . . 0.0 108.677 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 45.3 t -130.79 130.97 44.38 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 122.928 0.491 . . . . 0.0 109.676 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -87.29 -3.41 59.04 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -171.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -80.37 155.95 26.94 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.485 0.584 . . . . 0.0 111.334 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -73.76 -9.49 58.71 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -174.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 33.1 m -95.49 -8.25 9.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 118.165 0.439 . . . . 0.0 110.73 176.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 61.8 m -110.9 -73.46 0.68 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 27.0 t80 48.61 23.05 0.57 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.784 1.634 . . . . 0.0 114.269 175.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -142.67 168.33 19.97 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 123.091 0.557 . . . . 0.0 110.96 -177.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -81.42 146.1 30.45 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.102 176.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -150.15 175.78 11.43 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.502 0.721 . . . . 0.0 110.265 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 14.4 p -120.24 170.35 9.41 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.402 1.081 . . . . 0.0 109.155 177.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -63.14 -24.54 67.94 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 121.768 -0.583 . . . . 0.0 112.28 -174.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 72.7 m -70.02 -55.63 9.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 122.125 -0.359 . . . . 0.0 110.533 -177.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 15.2 p -80.85 -16.87 52.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.947 -176.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 19.9 t-105 -60.82 -45.84 92.88 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 171.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -78.8 -10.38 59.76 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 117.796 0.271 . . . . 0.0 111.594 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 45.7 m0 -85.42 -10.43 56.22 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.554 0.615 . . . . 0.0 111.617 174.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -126.41 -24.53 3.62 Favored 'General case' 0 C--O 1.225 -0.224 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -94.79 14.01 22.75 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.799 0.727 . . . . 0.0 112.473 -176.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 66.0 m -102.47 11.05 38.5 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.214 0.606 . . . . 0.0 112.121 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 25.3 ptp -115.4 154.56 29.0 Favored 'General case' 0 C--N 1.335 -0.059 0 C-N-CA 123.113 0.565 . . . . 0.0 110.169 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.94 -22.51 49.29 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 -172.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -79.46 -5.71 89.17 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-O 119.494 -0.615 . . . . 0.0 112.986 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.0 mp -139.66 3.78 2.1 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.169 0.985 . . . . 0.0 113.242 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -76.38 15.53 0.58 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 118.94 0.791 . . . . 0.0 112.012 178.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -122.9 7.98 9.33 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.093 0.557 . . . . 0.0 112.088 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -81.34 168.12 18.75 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.859 0.361 . . . . 0.0 110.75 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 78.6 p -127.48 144.82 52.28 Favored Pre-proline 0 N--CA 1.455 -0.217 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -74.58 156.57 44.91 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 123.613 2.875 . . . . 0.0 111.851 -176.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 17.2 tp -148.52 157.75 43.67 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 174.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 66.2 mtt -115.25 154.51 28.94 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.875 0.369 . . . . 0.0 110.977 -178.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -86.92 -12.65 47.05 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.154 0.582 . . . . 0.0 110.961 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -97.49 162.82 13.13 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.011 0.524 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -147.55 164.54 33.12 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 122.769 0.427 . . . . 0.0 110.48 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -91.72 0.04 57.52 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 122.955 0.502 . . . . 0.0 111.291 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 46.6 t30 54.83 33.81 20.6 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.985 0.914 . . . . 0.0 111.902 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 -136.19 154.96 50.79 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 124.06 0.944 . . . . 0.0 109.713 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -96.08 -2.78 45.95 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.008 0.523 . . . . 0.0 110.607 177.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 79.9 p -147.61 173.4 12.76 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.338 1.055 . . . . 0.0 109.836 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 C--O 1.25 1.096 0 CA-C-O 117.608 -1.187 . . . . 0.0 110.429 179.928 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 37.8 pt . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.491 0.186 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -146.1 150.35 41.61 Favored Pre-proline 0 CA--C 1.533 0.311 0 C-N-CA 123.023 0.529 . . . . 0.0 110.213 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -74.15 160.11 43.08 Favored 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 124.23 3.286 . . . . 0.0 111.619 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -78.91 165.58 23.34 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.997 0.519 . . . . 0.0 111.056 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 58.1 tp -145.85 135.67 23.45 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 177.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.465 ' HG3' ' H ' ' A' ' 433' ' ' SER . 9.9 tp10 -157.71 157.74 34.06 Favored 'General case' 0 N--CA 1.457 -0.083 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -72.76 -5.81 40.42 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.755 0.422 . . . . 0.0 111.252 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.465 ' H ' ' HG3' ' A' ' 431' ' ' GLU . 49.4 m -135.8 27.79 3.28 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.155 0.982 . . . . 0.0 110.532 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.437 HD21 ' HB2' ' A' ' 439' ' ' SER . 17.1 tp -52.46 149.78 5.46 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.222 1.009 . . . . 0.0 110.841 -177.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 50.5 t -54.92 144.12 23.99 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.475 0.31 . . . . 0.0 110.188 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -95.15 -18.52 20.86 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -170.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 41.3 mm -103.6 -23.2 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 118.361 0.528 . . . . 0.0 111.302 -176.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 6.5 p -141.22 -16.16 0.84 Allowed 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -176.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' SER . . . . . 0.437 ' HB2' HD21 ' A' ' 434' ' ' LEU . 4.0 p 45.2 26.31 0.24 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.287 1.035 . . . . 0.0 113.362 178.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 64.7 m -90.67 -7.33 52.93 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.91 0.484 . . . . 0.0 111.791 -178.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -141.1 158.93 63.42 Favored Pre-proline 0 CA--C 1.53 0.209 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 176.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -60.72 8.93 0.08 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.585 1 C-N-CA 125.427 4.085 . . . . 0.0 115.021 -178.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 70.77 62.19 3.72 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -175.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -69.43 -10.58 29.19 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 124.009 3.139 . . . . 0.0 111.982 -173.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -133.43 156.73 47.18 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.069 0.462 . . . . 0.0 111.304 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -130.45 156.25 45.08 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.501 1.121 . . . . 0.0 109.447 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 19.3 t -120.85 139.38 53.25 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 32.1 ttp-105 -88.19 -19.72 26.52 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -168.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.98 157.74 24.13 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 118.49 0.586 . . . . 0.0 111.595 -175.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -74.48 -8.98 58.1 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -177.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 30.6 m -89.47 -11.69 10.11 Favored 'Isoleucine or valine' 0 C--N 1.338 0.079 0 CA-C-N 117.77 0.259 . . . . 0.0 111.111 177.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 67.5 m -112.1 -63.25 1.45 Allowed 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 175.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 19.4 t80 47.16 20.56 0.14 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.517 1.927 . . . . 0.0 115.754 173.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -142.03 175.93 9.35 Favored 'General case' 0 C--O 1.23 0.069 0 O-C-N 121.612 -0.68 . . . . 0.0 110.938 -177.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -87.4 149.87 24.18 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.85 0.46 . . . . 0.0 109.963 176.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -149.45 173.48 13.52 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.484 0.714 . . . . 0.0 110.1 -176.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 28.3 p -114.8 172.75 6.85 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 173.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -64.44 -26.72 68.57 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.52 -0.737 . . . . 0.0 111.76 -173.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 23.2 t -72.14 -50.94 23.89 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 117.667 0.212 . . . . 0.0 110.858 -176.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 15.2 p -82.92 -13.59 55.79 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 122.389 -0.194 . . . . 0.0 111.201 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -61.31 -40.92 95.95 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 169.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -72.48 -26.81 61.94 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.672 176.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.9 m0 -73.13 -11.66 60.62 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.651 0.66 . . . . 0.0 111.676 177.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 87.8 mmt-85 -120.72 -0.89 10.09 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -134.95 12.23 3.63 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.233 0.47 . . . . 0.0 112.219 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 63.8 p -76.92 -19.07 57.84 Favored 'General case' 0 C--O 1.232 0.139 0 O-C-N 121.939 -0.476 . . . . 0.0 110.922 175.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 20.5 ptp -77.03 150.37 35.79 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.364 0.666 . . . . 0.0 109.818 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.3 -8.74 57.46 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -174.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -85.91 -18.11 60.25 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-O 118.977 -0.902 . . . . 0.0 113.391 -176.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 59.2 mt -118.7 20.92 12.75 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.607 1.203 . . . . 0.0 112.189 -176.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -68.62 -5.35 19.5 Favored 'General case' 0 N--CA 1.461 0.111 0 O-C-N 121.853 -0.529 . . . . 0.0 112.189 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -91.0 -2.76 57.65 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.227 0.611 . . . . 0.0 112.397 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -77.15 156.25 31.75 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.17 0.441 . . . . 0.0 110.007 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 66.0 p -136.68 146.69 56.43 Favored Pre-proline 0 N--CA 1.456 -0.146 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 176.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -73.61 113.84 3.88 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 123.126 2.551 . . . . 0.0 111.786 -173.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 11.1 mp -94.15 174.47 7.13 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 170.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . 0.412 ' C ' ' HD2' ' A' ' 478' ' ' ARG . 13.6 tpt 61.37 149.52 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.365 1.066 . . . . 0.0 112.244 -176.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . 0.412 ' HD2' ' C ' ' A' ' 477' ' ' MET . 3.0 mpt_? -139.58 168.08 20.63 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 123.224 0.61 . . . . 0.0 110.107 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -135.02 171.17 14.8 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.481 0.713 . . . . 0.0 110.837 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 57.41 179.51 0.05 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.592 1.157 . . . . 0.0 112.347 -177.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -74.79 164.67 26.32 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 122.643 0.377 . . . . 0.0 111.15 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -145.93 160.08 42.33 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.073 0.549 . . . . 0.0 109.735 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -73.92 150.6 40.75 Favored 'General case' 0 CA--C 1.526 0.051 0 C-N-CA 122.887 0.475 . . . . 0.0 109.997 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -147.97 155.75 41.89 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.275 0.63 . . . . 0.0 109.939 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 49.0 m -142.18 162.3 35.82 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.242 0.617 . . . . 0.0 110.863 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 C--O 1.251 1.138 0 CA-C-O 117.507 -1.235 . . . . 0.0 109.962 -179.556 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 51.3 mm . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -148.2 151.05 36.47 Favored Pre-proline 0 C--O 1.233 0.196 0 C-N-CA 122.737 0.415 . . . . 0.0 110.267 -178.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -73.03 159.16 48.4 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.783 2.989 . . . . 0.0 111.396 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -142.05 10.97 1.97 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.359 0.664 . . . . 0.0 111.406 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 96.4 mt -129.2 164.91 22.39 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.804 0.841 . . . . 0.0 110.415 -179.425 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -136.96 -17.17 1.41 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.663 0.385 . . . . 0.0 111.235 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -80.9 -4.83 56.26 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 122.013 -0.43 . . . . 0.0 111.167 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 74.2 p -85.37 -6.57 59.22 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.149 0.579 . . . . 0.0 111.019 178.35 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.4 HD21 ' HB2' ' A' ' 439' ' ' SER . 30.4 tp -81.32 156.96 25.26 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.172 0.989 . . . . 0.0 109.046 178.59 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 42.1 t -56.26 137.86 51.42 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.404 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -84.24 -15.71 45.87 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -168.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 43.2 mm -115.84 -24.93 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 118.985 0.812 . . . . 0.0 112.113 -174.449 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 7.0 p -133.16 -18.12 2.32 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -176.442 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 439' ' ' SER . . . . . 0.4 ' HB2' HD21 ' A' ' 434' ' ' LEU . 5.6 p 44.47 30.29 0.48 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.266 1.027 . . . . 0.0 113.581 176.913 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 18.1 t -86.48 -16.97 35.42 Favored 'General case' 0 CA--C 1.528 0.13 0 O-C-N 122.218 -0.301 . . . . 0.0 111.408 -178.242 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -151.38 156.5 34.92 Favored Pre-proline 0 C--O 1.233 0.207 0 C-N-CA 123.875 0.87 . . . . 0.0 109.48 -179.374 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -68.86 21.53 0.14 Allowed 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 124.976 3.784 . . . . 0.0 113.978 -173.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 67.5 94.32 0.04 OUTLIER Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.156 0.884 . . . . 0.0 112.424 176.354 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -74.27 -9.8 22.03 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 123.48 2.787 . . . . 0.0 111.35 176.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -133.68 161.29 35.06 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.22 0.608 . . . . 0.0 111.013 -179.662 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -141.45 154.64 45.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.964 0.905 . . . . 0.0 109.208 177.571 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 447' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 49.2 t -134.71 133.26 39.8 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 178.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -105.34 15.44 27.27 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -170.775 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.53 168.99 15.1 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 121.852 -0.53 . . . . 0.0 111.806 -179.053 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -69.34 -20.75 63.86 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.691 0.397 . . . . 0.0 110.832 178.453 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 24.9 m -100.84 -20.29 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 119.283 -0.389 . . . . 0.0 111.638 178.242 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 452' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 71.7 m -92.92 -83.47 0.31 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.272 0.487 . . . . 0.0 111.028 178.149 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 23.3 t80 53.07 22.91 2.71 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.107 1.363 . . . . 0.0 113.603 -179.636 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -143.99 173.64 11.54 Favored 'General case' 0 C--N 1.34 0.16 0 O-C-N 121.821 -0.549 . . . . 0.0 111.559 -177.687 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -84.91 150.53 24.9 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.49 0.716 . . . . 0.0 110.567 178.223 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -149.04 174.52 12.21 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.698 0.799 . . . . 0.0 109.662 -179.635 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 26.3 p -123.99 175.61 6.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.479 0.712 . . . . 0.0 109.532 176.473 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.99 -34.33 65.66 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -174.274 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 51.7 m -75.47 -53.48 8.6 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 122.198 -0.314 . . . . 0.0 111.061 -174.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 8.8 p -79.61 -17.56 53.57 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.831 -0.168 . . . . 0.0 111.393 -175.836 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -62.71 -45.89 90.64 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 170.574 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -77.98 -7.96 57.52 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 52.4 m0 -84.79 -18.26 35.57 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 118.518 0.599 . . . . 0.0 111.726 173.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -120.47 -21.47 6.8 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.366 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -100.52 8.7 43.34 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 118.687 0.676 . . . . 0.0 111.99 -177.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 73.3 p -86.99 -15.18 39.51 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 122.932 0.493 . . . . 0.0 111.752 177.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.5 ptp -94.65 156.33 16.47 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.055 0.542 . . . . 0.0 110.468 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -71.78 -8.06 51.96 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -173.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -80.41 -12.64 82.83 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.695 -0.503 . . . . 0.0 112.002 177.339 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.3 mp -137.6 11.01 2.94 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 117.908 0.854 . . . . 0.0 112.135 179.772 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -69.41 -4.85 20.21 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 121.721 -0.612 . . . . 0.0 112.492 -176.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -99.7 3.44 45.04 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.929 0.892 . . . . 0.0 112.223 -176.472 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -79.95 161.73 25.34 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 122.553 0.341 . . . . 0.0 110.556 -178.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 68.1 m -134.58 147.3 62.69 Favored Pre-proline 0 N--CA 1.456 -0.145 0 C-N-CA 123.183 0.593 . . . . 0.0 109.478 178.203 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.26 154.55 69.56 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 123.59 2.86 . . . . 0.0 111.399 -177.138 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 13.8 tp -145.95 162.51 37.65 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.21 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 64.6 mtt -130.96 161.19 32.47 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.005 0.431 . . . . 0.0 110.596 -177.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -79.41 -8.58 59.2 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.453 0.701 . . . . 0.0 111.005 -178.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -146.86 165.31 30.12 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.713 0.805 . . . . 0.0 110.398 -179.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -77.13 159.43 29.77 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.409 0.284 . . . . 0.0 110.307 178.227 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -144.6 149.99 36.71 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.015 0.526 . . . . 0.0 110.188 -178.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -116.4 164.5 14.45 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.654 0.782 . . . . 0.0 110.396 -178.279 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -143.84 156.82 44.6 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.058 0.543 . . . . 0.0 109.935 -178.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -79.22 -1.64 37.35 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.896 0.479 . . . . 0.0 112.106 -177.443 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 78.5 p -146.43 161.29 40.72 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.191 0.596 . . . . 0.0 110.604 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 C--O 1.251 1.173 0 CA-C-O 117.697 -1.144 . . . . 0.0 110.527 -178.441 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 65.6 mt . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -145.51 134.55 11.17 Favored Pre-proline 0 N--CA 1.451 -0.409 0 C-N-CA 123.484 0.714 . . . . 0.0 109.188 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -71.52 160.23 49.03 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.618 2.879 . . . . 0.0 111.872 -177.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -142.63 4.3 1.52 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.125 0.57 . . . . 0.0 111.224 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 47.4 tp -69.64 -21.01 63.58 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.796 -0.565 . . . . 0.0 110.635 -178.286 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.73 0.8 16.55 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.33 0.252 . . . . 0.0 111.463 179.416 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -114.06 4.47 15.68 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.555 0.742 . . . . 0.0 110.938 177.527 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 50.8 m -138.78 3.34 2.25 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 123.238 0.615 . . . . 0.0 111.752 -179.285 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.42 HD21 ' HB2' ' A' ' 439' ' ' SER . 25.1 tp -145.96 157.57 43.88 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.427 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 42.2 t -60.18 145.9 45.38 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.568 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -97.09 -12.68 22.88 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -171.383 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 45.2 mm -108.16 -27.15 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 118.326 0.512 . . . . 0.0 111.159 -176.678 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 10.7 p -136.01 -18.38 1.58 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 118.888 -0.577 . . . . 0.0 112.459 -176.324 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 439' ' ' SER . . . . . 0.42 ' HB2' HD21 ' A' ' 434' ' ' LEU . 5.9 p 43.25 27.87 0.14 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.495 1.118 . . . . 0.0 113.434 179.27 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 58.9 m -93.94 -10.83 32.45 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.255 0.622 . . . . 0.0 110.224 179.374 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -139.34 160.83 60.37 Favored Pre-proline 0 N--CA 1.448 -0.575 0 C-N-CA 123.467 0.707 . . . . 0.0 109.423 -177.636 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -59.68 -2.85 1.69 Allowed 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 124.827 3.684 . . . . 0.0 115.329 -172.831 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 67.69 58.11 8.1 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.436 -1.065 . . . . 0.0 110.436 -176.668 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -72.56 -8.02 21.84 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 124.099 3.199 . . . . 0.0 112.312 -173.428 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -125.41 162.25 25.24 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.849 0.357 . . . . 0.0 111.659 -177.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -147.29 146.54 29.77 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.129 0.972 . . . . 0.0 108.913 177.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 5.1 t -113.03 158.05 20.78 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 122.498 0.319 . . . . 0.0 111.009 -177.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -129.96 61.11 1.58 Allowed 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 122.958 0.503 . . . . 0.0 111.595 -172.081 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -132.97 178.23 7.04 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.033 0.444 . . . . 0.0 111.271 177.145 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -82.86 -18.35 40.62 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.244 0.618 . . . . 0.0 109.921 177.156 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 20.1 m -100.89 -21.14 5.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 119.384 -0.341 . . . . 0.0 111.593 179.207 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 4.3 p -140.81 123.5 16.16 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.109 0.413 . . . . 0.0 109.919 172.817 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -149.61 32.38 0.71 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.299 0.64 . . . . 0.0 110.713 -175.348 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -123.9 179.04 4.98 Favored 'General case' 0 N--CA 1.458 -0.059 0 C-N-CA 123.87 0.868 . . . . 0.0 109.897 -178.301 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -85.1 147.87 26.42 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.147 175.638 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -145.61 173.41 12.08 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.504 0.722 . . . . 0.0 109.916 -176.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 27.7 p -126.12 176.18 7.22 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.558 1.143 . . . . 0.0 108.296 174.593 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -58.85 -31.83 68.88 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 121.82 -0.55 . . . . 0.0 111.721 -172.328 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 19.5 t -72.61 -51.02 21.44 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 122.355 -0.215 . . . . 0.0 111.316 -174.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 7.7 p -84.18 -17.61 39.4 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 119.676 -0.202 . . . . 0.0 111.451 -177.193 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 49.5 t-105 -63.29 -38.45 91.21 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 171.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -74.96 -26.66 59.76 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.013 177.049 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -69.16 -16.84 63.73 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.817 0.735 . . . . 0.0 111.504 176.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 27.6 mmt85 -115.19 -6.13 12.43 Favored 'General case' 0 C--N 1.34 0.168 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -135.2 11.65 3.55 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -175.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 73.8 p -75.0 -17.7 60.49 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-N 118.376 0.534 . . . . 0.0 110.96 175.547 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 21.9 ptp -83.31 151.0 25.78 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.633 0.773 . . . . 0.0 110.842 -179.683 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -76.4 -4.95 45.09 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -178.063 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -81.32 -21.99 61.45 Favored Glycine 0 C--N 1.338 0.666 0 CA-C-O 119.211 -0.772 . . . . 0.0 112.636 179.381 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 79.1 mt -127.79 15.59 6.93 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 117.911 0.856 . . . . 0.0 111.809 -177.405 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -69.3 -1.4 8.06 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -178.611 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 -88.85 -6.02 57.63 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.171 0.588 . . . . 0.0 112.011 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -74.57 158.78 33.11 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.185 0.517 . . . . 0.0 110.96 178.612 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 61.2 p -141.83 140.12 19.42 Favored Pre-proline 0 N--CA 1.453 -0.287 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 175.526 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -74.79 142.59 28.77 Favored 'Trans proline' 0 N--CA 1.45 -1.079 0 C-N-CA 123.034 2.489 . . . . 0.0 111.795 -175.115 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 10.6 mp -107.72 155.92 19.66 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 173.045 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 27.4 ttt -110.64 -14.37 14.06 Favored 'General case' 0 C--O 1.231 0.085 0 C-N-CA 122.368 0.267 . . . . 0.0 111.498 -178.598 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -159.87 148.29 17.27 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 122.575 0.35 . . . . 0.0 110.25 -178.482 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -118.68 158.79 24.83 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.538 0.735 . . . . 0.0 109.815 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -141.25 162.6 35.1 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.952 0.501 . . . . 0.0 110.366 -179.295 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -139.97 166.88 23.46 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.545 0.738 . . . . 0.0 109.849 -179.567 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -69.87 153.44 43.29 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.626 0.371 . . . . 0.0 110.156 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -81.7 -8.16 59.67 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.208 0.603 . . . . 0.0 110.978 -178.195 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -141.52 170.52 15.56 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.004 0.922 . . . . 0.0 109.363 -179.762 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 49.9 m -63.57 153.24 36.39 Favored 'General case' 0 C--O 1.231 0.085 0 C-N-CA 122.496 0.318 . . . . 0.0 111.247 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 C--O 1.249 1.078 0 C-N-CA 124.087 0.955 . . . . 0.0 111.487 -178.297 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 38.7 pt . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 120.342 0.115 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -140.69 153.53 68.03 Favored Pre-proline 0 N--CA 1.456 -0.137 0 C-N-CA 123.241 0.616 . . . . 0.0 109.952 -179.061 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -71.15 166.09 30.32 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.804 3.003 . . . . 0.0 110.944 178.372 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -138.59 10.51 2.69 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 123.146 0.578 . . . . 0.0 111.198 -179.122 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 95.8 mt -129.53 161.84 29.54 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.759 0.823 . . . . 0.0 110.122 -178.469 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -81.7 161.98 23.17 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 122.854 0.462 . . . . 0.0 111.106 -177.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -80.26 5.97 13.19 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 122.918 0.487 . . . . 0.0 111.364 179.239 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 77.8 p -118.93 18.58 13.22 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.22 1.008 . . . . 0.0 111.123 -179.259 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 439' ' ' SER . 16.8 tp -141.51 154.65 45.63 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.813 0.845 . . . . 0.0 108.831 -179.747 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 38.4 t -63.13 149.51 45.05 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.652 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -101.71 -15.24 17.06 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -172.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 46.0 mm -99.52 -26.76 3.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 CA-C-N 118.329 0.513 . . . . 0.0 110.978 -178.02 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 7.9 p -141.42 -14.53 0.86 Allowed 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -176.069 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 439' ' ' SER . . . . . 0.484 ' HB2' HD21 ' A' ' 434' ' ' LEU . 3.9 p 44.97 28.11 0.34 Allowed 'General case' 0 C--N 1.342 0.262 0 C-N-CA 124.211 1.004 . . . . 0.0 113.652 179.002 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 23.0 t -85.94 -21.01 28.12 Favored 'General case' 0 CA--C 1.527 0.064 0 O-C-N 121.773 -0.579 . . . . 0.0 111.189 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -130.6 163.01 51.4 Favored Pre-proline 0 N--CA 1.453 -0.298 0 C-N-CA 123.575 0.75 . . . . 0.0 109.832 -179.016 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -61.51 15.56 0.05 OUTLIER 'Trans proline' 0 CA--C 1.536 0.59 1 C-N-CA 125.637 4.225 . . . . 0.0 115.237 -178.629 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 60.48 58.7 12.57 Favored Glycine 0 C--N 1.337 0.626 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 -177.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -70.44 -8.75 24.35 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 123.998 3.132 . . . . 0.0 112.03 -173.774 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -130.17 157.8 41.44 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.295 0.569 . . . . 0.0 111.385 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -146.86 155.71 42.54 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.66 1.184 . . . . 0.0 107.951 176.342 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 6.4 t -127.29 147.38 50.24 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -124.64 71.91 1.18 Allowed 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.2 0.6 . . . . 0.0 110.026 -177.577 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -130.21 178.08 6.84 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.754 179.286 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 10.2 pm0 -86.97 2.27 50.02 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 122.668 0.387 . . . . 0.0 111.54 177.596 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 32.8 m -120.48 -21.36 4.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-N 118.089 0.404 . . . . 0.0 111.496 175.309 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 8.2 p -140.07 136.56 33.76 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.311 0.505 . . . . 0.0 110.335 174.231 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -151.01 35.1 0.59 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.382 -175.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -130.91 176.55 8.14 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 122.993 0.517 . . . . 0.0 110.782 -175.384 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -85.95 149.59 25.09 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.796 178.037 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -147.49 174.33 11.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.771 0.828 . . . . 0.0 109.973 -178.168 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 27.1 p -127.6 177.05 7.04 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.929 1.292 . . . . 0.0 108.167 175.267 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -58.84 -31.44 68.5 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.904 -0.497 . . . . 0.0 111.358 -174.289 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 57.9 m -72.08 -55.18 7.79 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 117.601 0.182 . . . . 0.0 111.472 -176.891 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 460' ' ' CYS . . . . . 0.4 ' HA ' ' CD2' ' A' ' 463' ' ' TRP . 13.9 p -81.75 -19.74 40.74 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 -174.89 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -61.41 -45.46 94.22 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 171.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -75.78 -15.06 60.31 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 119.408 -0.33 . . . . 0.0 111.736 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 463' ' ' TRP . . . . . 0.4 ' CD2' ' HA ' ' A' ' 460' ' ' CYS . 53.7 m0 -73.14 -23.07 60.42 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.812 0.733 . . . . 0.0 111.321 175.41 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -121.63 -21.0 6.32 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -179.767 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -100.79 10.79 40.7 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.871 0.759 . . . . 0.0 112.479 -178.192 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 16.8 t -100.34 10.81 40.68 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 122.658 0.383 . . . . 0.0 111.118 178.016 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.4 ptp -115.2 159.89 20.39 Favored 'General case' 0 C--O 1.227 -0.089 0 C-N-CA 123.321 0.648 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -60.55 -18.65 53.83 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.406 0.682 . . . . 0.0 112.378 -174.293 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -82.89 -14.94 74.05 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 119.026 -0.875 . . . . 0.0 113.797 -177.085 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 5.1 mp -142.11 5.96 1.72 Allowed 'General case' 0 C--N 1.342 0.241 0 CA-C-N 118.798 1.299 . . . . 0.0 113.474 -178.321 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -67.3 -3.35 7.77 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 119.064 0.847 . . . . 0.0 112.59 -177.537 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -97.57 -0.67 45.42 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.973 0.909 . . . . 0.0 111.971 -178.467 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -77.47 167.31 21.86 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 121.054 0.454 . . . . 0.0 110.908 -179.549 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 49.1 m -135.07 146.95 60.54 Favored Pre-proline 0 N--CA 1.455 -0.179 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 177.206 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -69.31 157.66 60.44 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.468 2.779 . . . . 0.0 111.653 -177.261 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 15.2 tp -142.62 157.11 45.03 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.533 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 89.4 mtp -137.25 160.44 39.01 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 121.126 0.488 . . . . 0.0 111.109 -176.813 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -76.38 160.95 29.1 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.773 0.829 . . . . 0.0 110.679 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -77.74 160.8 28.17 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.107 179.308 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -80.39 -4.48 53.78 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.541 0.336 . . . . 0.0 111.865 -177.493 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -138.4 163.44 31.88 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 123.372 0.669 . . . . 0.0 110.542 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -114.31 172.33 7.08 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.857 0.863 . . . . 0.0 109.843 -179.485 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -73.56 4.92 4.29 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.082 0.553 . . . . 0.0 111.978 -179.223 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -123.84 5.49 8.74 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.928 0.891 . . . . 0.0 110.607 179.076 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 49.0 m -83.36 -0.6 50.52 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.878 0.471 . . . . 0.0 111.917 -179.504 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 55.5 m . . . . . 0 C--O 1.252 1.206 0 CA-C-O 117.242 -1.361 . . . . 0.0 110.384 -179.024 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 37.9 pt . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 110.707 -0.109 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -140.21 159.04 65.44 Favored Pre-proline 0 CA--C 1.529 0.163 0 C-N-CA 123.371 0.669 . . . . 0.0 110.552 -178.682 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -56.19 155.82 22.96 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.698 2.932 . . . . 0.0 112.692 178.6 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -149.89 168.87 22.53 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.793 0.837 . . . . 0.0 110.254 179.344 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 95.9 mt -131.8 165.75 23.1 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.999 0.92 . . . . 0.0 109.732 179.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -127.69 13.77 6.95 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.345 0.658 . . . . 0.0 111.063 -178.467 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 54.41 22.14 3.64 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.252 1.021 . . . . 0.0 112.811 -178.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 87.4 p -123.94 7.25 8.65 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 123.699 0.8 . . . . 0.0 111.365 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.452 ' HB3' ' HA ' ' A' ' 439' ' ' SER . 2.6 mm? -82.67 176.27 9.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.196 0.598 . . . . 0.0 110.485 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 23.1 t -53.05 136.24 35.74 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 169.609 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -69.37 -13.02 62.15 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -173.417 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 40.1 mm -123.24 -27.68 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 118.099 0.409 . . . . 0.0 111.431 -176.145 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.9 m -103.56 -22.04 13.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -172.888 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 439' ' ' SER . . . . . 0.452 ' HA ' ' HB3' ' A' ' 434' ' ' LEU . 20.9 p 35.27 51.59 0.61 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.142 1.377 . . . . 0.0 113.975 177.092 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 38.4 t -133.7 -26.51 1.58 Allowed 'General case' 0 CA--C 1.525 -0.019 0 C-N-CA 122.288 0.235 . . . . 0.0 111.523 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -137.2 161.65 59.92 Favored Pre-proline 0 N--CA 1.451 -0.417 0 C-N-CA 123.995 0.918 . . . . 0.0 108.672 -178.329 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -61.78 -7.43 9.29 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 124.078 3.186 . . . . 0.0 113.04 179.255 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 78.07 120.7 0.24 Allowed Glycine 0 CA--C 1.529 0.907 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -176.909 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -75.32 -10.59 20.77 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.461 2.774 . . . . 0.0 111.677 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -136.56 163.68 29.97 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-O 121.392 0.615 . . . . 0.0 111.53 -178.197 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -137.24 151.45 48.73 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.475 1.11 . . . . 0.0 108.409 176.513 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 447' ' ' CYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 14.0 t -123.5 130.84 53.28 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -179.083 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -129.71 89.72 2.87 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.546 0.738 . . . . 0.0 110.173 -173.779 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -136.75 -172.57 3.2 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.041 177.003 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -69.9 -12.31 61.52 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 122.663 0.385 . . . . 0.0 110.259 177.295 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 28.3 m -127.49 -11.88 3.79 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 123.008 0.523 . . . . 0.0 112.052 179.093 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 452' ' ' CYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 96.7 m -111.17 135.99 50.88 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.332 0.515 . . . . 0.0 110.499 178.294 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -157.95 24.54 0.26 Allowed 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 111.537 0.199 . . . . 0.0 111.537 179.611 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -137.89 171.76 13.95 Favored 'General case' 0 C--O 1.228 -0.037 0 O-C-N 121.824 -0.547 . . . . 0.0 111.521 -174.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -81.44 152.09 27.57 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.214 0.606 . . . . 0.0 111.053 178.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -149.63 176.08 10.98 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 123.892 0.877 . . . . 0.0 109.819 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 23.1 p -131.05 174.24 10.21 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.443 1.097 . . . . 0.0 108.825 175.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -57.79 -37.56 73.94 Favored 'General case' 0 N--CA 1.461 0.081 0 O-C-N 122.088 -0.383 . . . . 0.0 111.976 -172.319 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 74.8 m -66.91 -49.69 64.79 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -176.475 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 25.3 p -87.57 -15.68 36.73 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -175.554 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -61.4 -41.21 96.77 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 171.827 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -74.96 -29.51 60.94 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.826 177.828 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -69.1 -10.1 55.94 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.624 -0.673 . . . . 0.0 111.177 176.502 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -122.44 -4.82 8.8 Favored 'General case' 0 C--N 1.34 0.169 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 179.218 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -141.29 2.93 1.71 Allowed 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -175.26 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 47.6 t -72.95 -23.88 60.73 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 118.769 0.713 . . . . 0.0 111.482 -178.627 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.88 158.08 18.8 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.964 0.412 . . . . 0.0 110.311 178.826 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.98 -2.01 13.93 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -176.391 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -73.98 -27.94 65.59 Favored Glycine 0 CA--C 1.524 0.632 0 CA-C-O 119.05 -0.861 . . . . 0.0 112.28 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 91.6 mt -137.24 22.13 2.99 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 118.278 1.039 . . . . 0.0 111.542 -178.573 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -68.72 -1.84 7.89 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -177.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 53.9 p-80 -87.52 -3.98 58.99 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.23 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -77.33 156.06 31.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.968 0.349 . . . . 0.0 110.778 178.367 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . 0.422 ' HA ' ' HD3' ' A' ' 475' ' ' PRO . 65.8 m -137.6 141.63 34.04 Favored Pre-proline 0 N--CA 1.456 -0.162 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 176.409 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 475' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 474' ' ' SER . 32.9 Cg_exo -62.62 142.59 90.3 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 123.065 2.51 . . . . 0.0 113.204 -177.035 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -114.85 160.5 19.4 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 169.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 91.6 mtp -138.73 152.3 47.85 Favored 'General case' 0 C--O 1.23 0.075 0 C-N-CA 122.511 0.324 . . . . 0.0 110.451 179.761 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 55.6 ttt-85 -151.4 155.39 38.54 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 123.52 0.728 . . . . 0.0 109.368 -179.408 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -86.48 23.16 1.68 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.074 0.55 . . . . 0.0 111.555 -179.284 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 50.27 15.94 0.23 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.78 1.632 . . . . 0.0 113.801 -173.798 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -154.33 167.97 28.19 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.937 0.895 . . . . 0.0 109.615 175.487 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -85.56 154.62 21.61 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.557 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -92.46 3.92 54.51 Favored 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 122.827 0.451 . . . . 0.0 111.707 -177.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -86.28 -3.84 59.06 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.025 0.53 . . . . 0.0 110.904 177.716 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 69.2 m -139.4 164.54 29.58 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 123.57 0.748 . . . . 0.0 110.483 -178.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 C--O 1.252 1.202 0 CA-C-O 117.337 -1.316 . . . . 0.0 110.938 179.475 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 40.3 pt . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 120.335 0.112 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -147.25 138.54 13.23 Favored Pre-proline 0 CA--C 1.534 0.339 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.798 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.59 -7.24 19.96 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 123.516 2.81 . . . . 0.0 112.64 -177.282 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 32.3 t80 56.72 19.96 4.74 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.339 1.056 . . . . 0.0 113.379 -179.4 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 96.9 mt -86.12 159.1 19.63 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.969 -0.457 . . . . 0.0 110.646 177.306 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -150.28 155.48 39.77 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.298 0.639 . . . . 0.0 109.465 179.628 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -146.28 156.75 43.59 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.51 0.324 . . . . 0.0 110.809 -179.434 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.8 t -148.22 1.24 0.63 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.524 0.73 . . . . 0.0 111.154 -179.385 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' A' ' 439' ' ' SER . 32.4 tp -69.07 155.94 39.51 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.12 0.568 . . . . 0.0 109.826 -178.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 37.8 t -58.14 143.38 44.14 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.226 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -106.48 2.81 26.57 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -174.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 51.8 mm -109.68 -25.73 3.48 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-N 117.957 0.344 . . . . 0.0 110.38 178.599 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 7.8 p -145.3 -20.47 0.48 Allowed 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -177.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 439' ' ' SER . . . . . 0.459 ' HB2' HD21 ' A' ' 434' ' ' LEU . 6.8 p 46.25 25.95 0.41 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 65.0 m -95.37 -7.76 37.58 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 122.037 -0.414 . . . . 0.0 111.626 -179.174 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -134.18 160.87 66.85 Favored Pre-proline 0 N--CA 1.454 -0.267 0 C-N-CA 124.178 0.991 . . . . 0.0 108.469 177.045 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -59.35 1.5 0.35 Allowed 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 124.915 3.743 . . . . 0.0 115.354 -173.308 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 66.84 56.85 11.07 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 -177.308 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -72.36 -8.7 23.13 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 124.005 3.136 . . . . 0.0 112.076 -173.567 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -127.47 155.07 44.29 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.046 0.45 . . . . 0.0 111.927 -177.708 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -148.22 151.48 35.56 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.995 0.918 . . . . 0.0 108.81 176.758 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 447' ' ' CYS . . . . . . . . . . . . . 6.9 t -129.56 156.34 44.33 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.523 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 17.9 ptm180 -114.96 5.23 14.98 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -169.514 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -86.96 159.19 19.09 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 118.427 0.558 . . . . 0.0 111.205 178.85 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -71.31 -4.94 28.74 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.838 0.455 . . . . 0.0 111.865 -175.575 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 35.5 m -106.11 -5.65 10.03 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 C-N-CA 122.821 0.448 . . . . 0.0 111.644 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 452' ' ' CYS . . . . . . . . . . . . . 6.9 p -153.44 42.51 0.57 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.914 0.486 . . . . 0.0 110.548 178.585 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -71.48 31.0 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.478 1.111 . . . . 0.0 113.171 -177.768 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -128.5 177.62 6.87 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.595 0.758 . . . . 0.0 111.296 -174.367 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -88.44 151.33 22.63 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.724 0.41 . . . . 0.0 110.437 175.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -146.4 172.92 12.78 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.488 0.661 . . . . 0.0 110.763 -177.134 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 13.6 p -131.03 179.07 6.22 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.216 1.406 . . . . 0.0 107.598 174.165 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -57.91 -34.15 69.52 Favored 'General case' 0 CA--C 1.529 0.136 0 O-C-N 121.631 -0.668 . . . . 0.0 112.029 -171.608 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 69.6 m -71.81 -46.87 56.71 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -175.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 460' ' ' CYS . . . . . 0.529 ' HA ' ' HB3' ' A' ' 463' ' ' TRP . 8.3 p -90.56 -16.69 28.32 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 122.225 0.21 . . . . 0.0 111.561 -175.529 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -67.21 -46.66 73.2 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 173.333 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -72.53 -25.63 61.45 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.21 178.797 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 463' ' ' TRP . . . . . 0.529 ' HB3' ' HA ' ' A' ' 460' ' ' CYS . 72.7 t90 -67.84 -19.2 65.02 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 122.251 -0.281 . . . . 0.0 111.002 176.186 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.1 tpp85 -112.96 -21.31 11.18 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -120.02 1.77 10.92 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -173.533 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . 0.454 ' HA ' ' HE ' ' A' ' 471' ' ' ARG . 8.2 t -100.11 7.65 44.46 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.964 0.802 . . . . 0.0 111.975 179.518 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 23.1 ptp -87.33 17.46 4.4 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 122.986 0.514 . . . . 0.0 111.66 178.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 61.66 -8.49 0.09 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.895 1.678 . . . . 0.0 113.97 179.783 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -84.22 -22.81 53.68 Favored Glycine 0 CA--C 1.523 0.568 0 CA-C-O 119.252 -0.749 . . . . 0.0 112.658 -179.027 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 78.5 mt -126.27 22.31 7.19 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 118.057 0.928 . . . . 0.0 111.691 -177.026 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . 0.454 ' HE ' ' HA ' ' A' ' 466' ' ' SER . 21.8 mmt85 -67.38 -2.03 5.61 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 121.844 -0.535 . . . . 0.0 112.396 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -89.93 -3.69 57.9 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.006 0.522 . . . . 0.0 111.758 177.839 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 43.1 m170 -79.39 165.23 23.33 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.769 0.427 . . . . 0.0 110.63 177.624 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 40.8 t -141.16 137.63 17.0 Favored Pre-proline 0 N--CA 1.453 -0.29 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 175.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -73.35 141.67 32.29 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 122.996 2.464 . . . . 0.0 111.899 -176.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 10.7 mp -104.5 161.88 13.72 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.908 0.883 . . . . 0.0 109.062 174.611 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . 0.401 ' C ' ' HD2' ' A' ' 478' ' ' ARG . 27.2 ptt? -145.29 172.0 13.77 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 122.784 0.434 . . . . 0.0 110.232 -179.439 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . 0.401 ' HD2' ' C ' ' A' ' 477' ' ' MET . 2.9 mpt_? -128.81 158.92 37.33 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.291 0.636 . . . . 0.0 109.889 179.797 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -140.47 13.07 2.35 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 123.336 0.654 . . . . 0.0 111.686 -179.316 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -86.26 1.1 52.12 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.896 0.478 . . . . 0.0 111.56 -178.851 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -145.28 150.53 36.82 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.186 0.594 . . . . 0.0 109.654 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -147.24 159.84 43.18 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.88 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -78.69 160.79 27.31 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.035 0.534 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -138.89 7.14 2.47 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 122.985 0.514 . . . . 0.0 111.789 -179.287 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 58.4 m -141.12 159.42 42.24 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 123.191 0.596 . . . . 0.0 110.682 -179.486 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 79.9 p . . . . . 0 C--O 1.249 1.031 0 CA-C-O 117.084 -1.436 . . . . 0.0 110.873 179.333 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 37.1 pt . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.744 0.307 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 427' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -76.68 152.39 83.04 Favored Pre-proline 0 C--O 1.235 0.291 0 C-N-CA 122.333 0.253 . . . . 0.0 110.668 179.452 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -71.61 164.48 35.58 Favored 'Trans proline' 0 N--CA 1.449 -1.088 0 C-N-CA 123.761 2.974 . . . . 0.0 111.651 179.558 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -83.1 -10.07 58.88 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 122.494 0.317 . . . . 0.0 111.2 -179.191 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -150.57 166.7 29.45 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.208 0.603 . . . . 0.0 111.08 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -138.29 161.06 37.88 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.015 0.526 . . . . 0.0 109.951 -179.69 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 39.3 t70 -78.38 -1.87 35.49 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.626 0.37 . . . . 0.0 111.497 -179.11 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 38.2 m -125.3 15.52 8.34 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.589 0.756 . . . . 0.0 110.966 179.344 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 439' ' ' SER . 29.1 tp -65.73 152.87 43.28 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.793 0.837 . . . . 0.0 109.707 -179.442 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 38.5 t -55.76 140.77 40.81 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 176.908 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 436' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -99.87 -9.8 22.47 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -172.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 38.8 mm -100.08 -25.79 3.81 Favored 'Isoleucine or valine' 0 C--O 1.23 0.057 0 CA-C-N 117.958 0.344 . . . . 0.0 110.887 -178.087 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 12.4 p -144.18 -18.08 0.57 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -176.362 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 439' ' ' SER . . . . . 0.422 ' HB2' HD21 ' A' ' 434' ' ' LEU . 7.3 p 43.97 27.18 0.17 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.586 1.154 . . . . 0.0 113.588 178.748 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 68.7 m -96.72 -6.33 36.62 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.866 0.466 . . . . 0.0 112.002 -178.483 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 441' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -135.97 159.51 70.84 Favored Pre-proline 0 N--CA 1.454 -0.228 0 C-N-CA 124.32 1.048 . . . . 0.0 108.678 176.26 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 442' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -60.87 3.55 0.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 125.085 3.856 . . . . 0.0 115.247 -173.532 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 69.38 58.81 6.21 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.026 -1.229 . . . . 0.0 110.026 -176.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -70.54 -8.88 24.63 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 123.853 3.036 . . . . 0.0 112.246 -174.307 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 445' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -133.45 159.29 40.78 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.128 0.49 . . . . 0.0 112.048 -179.19 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 446' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -140.25 157.13 46.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.53 1.132 . . . . 0.0 108.207 173.49 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 447' ' ' CYS . . . . . 0.444 ' HB3' ' HB3' ' A' ' 452' ' ' CYS . 21.5 t -136.73 133.39 36.02 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -178.728 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -125.82 87.56 2.71 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.684 0.794 . . . . 0.0 109.799 -174.905 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -136.14 -179.42 5.66 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.201 178.859 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -70.87 -2.72 15.9 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 122.235 -0.291 . . . . 0.0 111.338 176.239 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 17.1 m -134.45 -2.45 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 123.994 0.918 . . . . 0.0 111.465 176.072 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 452' ' ' CYS . . . . . 0.444 ' HB3' ' HB3' ' A' ' 447' ' ' CYS . 89.3 m -121.6 135.02 55.01 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 118.264 0.484 . . . . 0.0 110.838 177.574 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 453' ' ' PHE . . . . . 0.432 ' CZ ' ' HE3' ' A' ' 454' ' ' LYS . 39.9 p90 -158.26 25.42 0.25 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.498 0.319 . . . . 0.0 111.069 179.281 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . 0.432 ' HE3' ' CZ ' ' A' ' 453' ' ' PHE . 98.0 mttt -133.37 167.61 20.11 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 122.8 0.44 . . . . 0.0 112.081 -172.144 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 455' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -85.91 150.58 24.41 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.623 172.629 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 456' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -147.67 172.07 14.64 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.205 0.602 . . . . 0.0 110.713 -177.474 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 457' ' ' CYS . . . . . . . . . . . . . 20.8 p -128.0 173.49 10.0 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.96 1.304 . . . . 0.0 107.698 173.451 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 53.4 ptt85 -60.01 -27.04 66.55 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.5 -0.75 . . . . 0.0 112.347 -171.692 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 19.4 t -74.95 -52.57 10.84 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 117.852 0.297 . . . . 0.0 111.006 -175.587 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 460' ' ' CYS . . . . . . . . . . . . . 14.1 p -82.0 -17.28 47.43 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 122.267 0.227 . . . . 0.0 111.236 -178.734 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 461' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -62.69 -42.04 99.43 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 172.332 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 462' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -73.11 -24.45 60.63 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.996 178.32 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 463' ' ' TRP . . . . . . . . . . . . . 51.0 m0 -72.44 -14.72 61.76 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.616 0.643 . . . . 0.0 111.478 175.594 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -123.77 -4.97 8.09 Favored 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -176.253 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -133.08 6.9 3.94 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -176.504 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 466' ' ' SER . . . . . . . . . . . . . 56.0 m -101.1 7.19 43.4 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-N 118.15 0.432 . . . . 0.0 111.147 175.304 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 467' ' ' MET . . . . . . . . . . . . . 24.5 ptp -103.39 158.14 16.55 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.084 0.553 . . . . 0.0 110.16 177.513 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -64.86 -11.33 36.26 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -174.01 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 469' ' ' GLY . . . . . . . . . . . . . . . -87.71 -16.34 60.11 Favored Glycine 0 CA--C 1.528 0.858 0 CA-C-O 118.898 -0.946 . . . . 0.0 113.311 -178.043 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 4.3 mp -142.16 15.55 2.06 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.681 1.241 . . . . 0.0 112.646 -177.447 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 16.02 0.09 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -177.328 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 472' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -124.11 4.43 8.58 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.87 0.868 . . . . 0.0 112.077 -174.447 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 473' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -82.28 166.21 19.73 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 121.259 0.552 . . . . 0.0 111.311 179.782 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 77.7 p -140.2 152.27 66.74 Favored Pre-proline 0 C--O 1.233 0.222 0 C-N-CA 124.158 0.983 . . . . 0.0 109.25 177.564 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 475' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -64.71 148.17 90.11 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 123.392 2.728 . . . . 0.0 111.132 -176.469 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 52.7 tp -145.66 154.26 41.92 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.958 0.903 . . . . 0.0 109.166 -177.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 44.1 tpp -153.6 -23.94 0.14 Allowed 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 122.252 0.221 . . . . 0.0 111.487 176.619 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 478' ' ' ARG . . . . . . . . . . . . . 64.2 ttm-85 -157.15 153.74 28.19 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -178.769 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -145.61 159.74 42.69 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.309 0.644 . . . . 0.0 109.335 179.565 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -148.27 160.83 42.56 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 122.929 0.492 . . . . 0.0 110.877 -178.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -135.51 148.55 49.22 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.284 0.633 . . . . 0.0 109.839 177.843 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -152.83 167.11 30.15 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 122.804 0.441 . . . . 0.0 110.506 -178.732 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 483' ' ' ARG . . . . . . . . . . . . . 22.0 tpp85 -148.27 148.4 30.41 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.78 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -140.47 7.44 2.15 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 122.975 0.51 . . . . 0.0 111.194 -179.283 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 22.2 m -82.31 -1.84 50.87 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 122.776 0.43 . . . . 0.0 111.84 -178.688 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 77.6 p . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.9 179.544 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_